 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer01_STD_wB97XD_def2SVPD.in
 Output=10_L-serine_conformer01_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-221709.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    221710.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer01_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:21:00 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer01_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.400902000000      0.606476000000      0.330203000000
  C                                                 0.023343000000      0.604862000000     -0.347509000000
  C                                                -0.733110000000     -0.696797000000     -0.043039000000
  O                                                -2.048935000000     -0.547476000000      0.094953000000
  O                                                 2.244705000000     -0.411378000000     -0.147633000000
  N                                                -0.823363000000      1.751312000000     -0.004429000000
  O                                                -0.187475000000     -1.769200000000      0.050668000000
  H                                                 0.182702000000      0.606179000000     -1.429434000000
  H                                                 1.891186000000      1.559018000000      0.119143000000
  H                                                 1.257893000000      0.539142000000      1.419890000000
  H                                                -2.208899000000      0.421463000000      0.023461000000
  H                                                -0.669033000000      2.051352000000      0.952422000000
  H                                                -0.651577000000      2.542659000000     -0.609638000000
  H                                                 1.748102000000     -1.241813000000     -0.066668000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:21:00 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.535241   0.000000
     3  C    2.528208   1.535982   0.000000
     4  O    3.645315   2.412051   1.331441   0.000000
     5  O    1.405830   2.450947   2.993290   4.302640   0.000000
     6  N    2.523882   1.465934   2.450076   2.606977   3.756431
     7  O    2.871396   2.416435   1.206875   2.227017   2.792580
     8  H    2.140171   1.093599   2.111528   2.938517   2.632545
     9  H    1.091907   2.148724   3.464381   4.467936   2.019556
    10  H    1.101092   2.156880   2.762571   3.724421   2.081926
    11  H    3.627531   2.270277   1.852804   0.984653   4.534036
    12  H    2.599895   2.064349   2.923589   3.064847   3.970520
    13  H    2.974017   2.068643   3.289644   3.463812   4.162719
    14  H    1.922037   2.542415   2.540475   3.863381   0.970975
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.577904   0.000000
     8  H    2.086657   2.823147   0.000000
     9  H    2.724156   3.924609   2.494977   0.000000
    10  H    2.798154   3.048327   3.046174   1.770071   0.000000
    11  H    1.920673   2.980923   2.804421   4.256041   3.739319
    12  H    1.014596   3.954956   2.913283   2.737055   2.493662
    13  H    1.010949   4.386744   2.262309   2.822112   3.432075
    14  H    3.946531   2.009568   2.778972   2.810632   2.371067
                   11         12         13         14
    11  H    0.000000
    12  H    2.427075   0.000000
    13  H    2.706573   1.637595   0.000000
    14  H    4.293305   4.210228   4.513923   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.69D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.6361596           2.3988948           1.5210373
 Leave Link  202 at Thu Aug 12 22:21:00 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       327.0913727460 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0066558244 Hartrees.
 Nuclear repulsion after empirical dispersion term =      327.0847169217 Hartrees.
 Leave Link  301 at Thu Aug 12 22:21:00 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  5.60D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:21:01 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:21:01 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer01_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:21:01 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.576439019113    
 DIIS: error= 3.90D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.576439019113     IErMin= 1 ErrMin= 3.90D-03
 ErrMax= 3.90D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-02 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.90D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.410 Goal=   None    Shift=    0.000
 GapD=    0.410 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.04D-03 MaxDP=1.10D-01              OVMax= 1.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.04D-03    CP:  9.94D-01
 E= -398.586868763130     Delta-E=       -0.010429744017 Rises=F Damp=F
 DIIS: error= 8.94D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.586868763130     IErMin= 2 ErrMin= 8.94D-04
 ErrMax= 8.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-04 BMatP= 1.28D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.94D-03
 Coeff-Com:  0.103D-01 0.990D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.102D-01 0.990D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=6.92D-04 MaxDP=2.44D-02 DE=-1.04D-02 OVMax= 7.34D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.33D-04    CP:  9.91D-01  1.13D+00
 E= -398.587236153278     Delta-E=       -0.000367390147 Rises=F Damp=F
 DIIS: error= 8.67D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.587236153278     IErMin= 3 ErrMin= 8.67D-04
 ErrMax= 8.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-04 BMatP= 5.52D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.67D-03
 Coeff-Com: -0.510D-01 0.485D+00 0.566D+00
 Coeff-En:   0.000D+00 0.165D+00 0.835D+00
 Coeff:     -0.506D-01 0.482D+00 0.568D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.47D-04 MaxDP=3.95D-03 DE=-3.67D-04 OVMax= 2.87D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.90D-05    CP:  9.90D-01  1.16D+00  9.95D-01
 E= -398.587547678810     Delta-E=       -0.000311525533 Rises=F Damp=F
 DIIS: error= 1.06D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.587547678810     IErMin= 4 ErrMin= 1.06D-04
 ErrMax= 1.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-05 BMatP= 4.59D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.06D-03
 Coeff-Com: -0.168D-01 0.956D-01 0.167D+00 0.755D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.168D-01 0.955D-01 0.167D+00 0.755D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=6.39D-05 MaxDP=2.95D-03 DE=-3.12D-04 OVMax= 7.50D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.55D-05    CP:  9.89D-01  1.17D+00  1.08D+00  1.12D+00
 E= -398.587557922352     Delta-E=       -0.000010243541 Rises=F Damp=F
 DIIS: error= 4.94D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.587557922352     IErMin= 5 ErrMin= 4.94D-05
 ErrMax= 4.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-06 BMatP= 1.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.233D-02-0.412D-01-0.388D-01 0.255D+00 0.823D+00
 Coeff:      0.233D-02-0.412D-01-0.388D-01 0.255D+00 0.823D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=2.45D-05 MaxDP=1.08D-03 DE=-1.02D-05 OVMax= 4.17D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.27D-05    CP:  9.89D-01  1.17D+00  1.12D+00  1.19D+00  1.05D+00
 E= -398.587559920965     Delta-E=       -0.000001998613 Rises=F Damp=F
 DIIS: error= 8.35D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.587559920965     IErMin= 6 ErrMin= 8.35D-06
 ErrMax= 8.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.55D-08 BMatP= 1.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-02-0.132D-01-0.142D-01 0.320D-01 0.189D+00 0.806D+00
 Coeff:      0.115D-02-0.132D-01-0.142D-01 0.320D-01 0.189D+00 0.806D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=5.51D-06 MaxDP=3.78D-04 DE=-2.00D-06 OVMax= 1.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.38D-06    CP:  9.89D-01  1.17D+00  1.13D+00  1.21D+00  1.11D+00
                    CP:  1.20D+00
 E= -398.587559994380     Delta-E=       -0.000000073414 Rises=F Damp=F
 DIIS: error= 5.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.587559994380     IErMin= 7 ErrMin= 5.04D-06
 ErrMax= 5.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-08 BMatP= 5.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-03 0.898D-03 0.613D-03-0.266D-01-0.480D-01 0.338D+00
 Coeff-Com:  0.735D+00
 Coeff:      0.106D-03 0.898D-03 0.613D-03-0.266D-01-0.480D-01 0.338D+00
 Coeff:      0.735D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=2.05D-06 MaxDP=1.17D-04 DE=-7.34D-08 OVMax= 5.28D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-06    CP:  9.89D-01  1.17D+00  1.13D+00  1.21D+00  1.13D+00
                    CP:  1.31D+00  1.22D+00
 E= -398.587560013804     Delta-E=       -0.000000019425 Rises=F Damp=F
 DIIS: error= 2.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.587560013804     IErMin= 8 ErrMin= 2.14D-06
 ErrMax= 2.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-09 BMatP= 1.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.867D-04 0.189D-02 0.206D-02-0.144D-01-0.403D-01 0.283D-01
 Coeff-Com:  0.284D+00 0.738D+00
 Coeff:     -0.867D-04 0.189D-02 0.206D-02-0.144D-01-0.403D-01 0.283D-01
 Coeff:      0.284D+00 0.738D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=9.18D-07 MaxDP=7.53D-05 DE=-1.94D-08 OVMax= 2.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.93D-07    CP:  9.89D-01  1.17D+00  1.13D+00  1.21D+00  1.14D+00
                    CP:  1.35D+00  1.39D+00  1.15D+00
 E= -398.587560015787     Delta-E=       -0.000000001983 Rises=F Damp=F
 DIIS: error= 6.92D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.587560015787     IErMin= 9 ErrMin= 6.92D-07
 ErrMax= 6.92D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-10 BMatP= 1.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.539D-04 0.799D-03 0.919D-03-0.409D-02-0.138D-01-0.282D-01
 Coeff-Com:  0.517D-01 0.364D+00 0.628D+00
 Coeff:     -0.539D-04 0.799D-03 0.919D-03-0.409D-02-0.138D-01-0.282D-01
 Coeff:      0.517D-01 0.364D+00 0.628D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=3.74D-07 MaxDP=3.32D-05 DE=-1.98D-09 OVMax= 7.86D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  9.89D-01  1.17D+00  1.13D+00  1.21D+00  1.14D+00
                    CP:  1.36D+00  1.46D+00  1.26D+00  1.13D+00
 E= -398.587560016160     Delta-E=       -0.000000000373 Rises=F Damp=F
 DIIS: error= 2.19D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.587560016160     IErMin=10 ErrMin= 2.19D-07
 ErrMax= 2.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-11 BMatP= 3.67D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.813D-05 0.372D-04 0.430D-04 0.435D-03 0.550D-03-0.130D-01
 Coeff-Com: -0.190D-01 0.182D-01 0.208D+00 0.805D+00
 Coeff:     -0.813D-05 0.372D-04 0.430D-04 0.435D-03 0.550D-03-0.130D-01
 Coeff:     -0.190D-01 0.182D-01 0.208D+00 0.805D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.55D-07 MaxDP=1.32D-05 DE=-3.73D-10 OVMax= 3.05D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.32D-08    CP:  9.89D-01  1.17D+00  1.13D+00  1.21D+00  1.14D+00
                    CP:  1.36D+00  1.50D+00  1.32D+00  1.25D+00  1.14D+00
 E= -398.587560016183     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 5.26D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.587560016183     IErMin=11 ErrMin= 5.26D-08
 ErrMax= 5.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-12 BMatP= 2.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.354D-05-0.832D-04-0.102D-03 0.685D-03 0.196D-02-0.730D-03
 Coeff-Com: -0.125D-01-0.397D-01-0.332D-04 0.288D+00 0.763D+00
 Coeff:      0.354D-05-0.832D-04-0.102D-03 0.685D-03 0.196D-02-0.730D-03
 Coeff:     -0.125D-01-0.397D-01-0.332D-04 0.288D+00 0.763D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=5.12D-08 MaxDP=4.31D-06 DE=-2.27D-11 OVMax= 9.24D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.73D-08    CP:  9.89D-01  1.17D+00  1.13D+00  1.21D+00  1.14D+00
                    CP:  1.36D+00  1.51D+00  1.34D+00  1.30D+00  1.23D+00
                    CP:  1.13D+00
 E= -398.587560016172     Delta-E=        0.000000000011 Rises=F Damp=F
 DIIS: error= 2.24D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -398.587560016183     IErMin=12 ErrMin= 2.24D-08
 ErrMax= 2.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-13 BMatP= 3.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-05-0.344D-04-0.433D-04 0.197D-03 0.623D-03 0.862D-03
 Coeff-Com: -0.246D-02-0.156D-01-0.197D-01 0.996D-02 0.239D+00 0.787D+00
 Coeff:      0.225D-05-0.344D-04-0.433D-04 0.197D-03 0.623D-03 0.862D-03
 Coeff:     -0.246D-02-0.156D-01-0.197D-01 0.996D-02 0.239D+00 0.787D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=1.61D-08 MaxDP=1.46D-06 DE= 1.09D-11 OVMax= 3.48D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.13D-09    CP:  9.89D-01  1.17D+00  1.13D+00  1.21D+00  1.14D+00
                    CP:  1.36D+00  1.51D+00  1.34D+00  1.31D+00  1.26D+00
                    CP:  1.23D+00  1.13D+00
 E= -398.587560016183     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 8.31D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -398.587560016183     IErMin=13 ErrMin= 8.31D-09
 ErrMax= 8.31D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.01D-14 BMatP= 3.00D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.283D-06-0.989D-06-0.170D-05-0.178D-04-0.389D-04 0.390D-03
 Coeff-Com:  0.819D-03-0.327D-03-0.644D-02-0.332D-01-0.169D-01 0.269D+00
 Coeff-Com:  0.787D+00
 Coeff:      0.283D-06-0.989D-06-0.170D-05-0.178D-04-0.389D-04 0.390D-03
 Coeff:      0.819D-03-0.327D-03-0.644D-02-0.332D-01-0.169D-01 0.269D+00
 Coeff:      0.787D+00
 Gap=     0.407 Goal=   None    Shift=    0.000
 RMSDP=3.92D-09 MaxDP=2.88D-07 DE=-1.14D-11 OVMax= 1.16D-07

 SCF Done:  E(RwB97XD) =  -398.587560016     A.U. after   13 cycles
            NFock= 13  Conv=0.39D-08     -V/T= 2.0095
 KE= 3.948379655154D+02 PE=-1.587086389574D+03 EE= 4.665761471207D+02
 Leave Link  502 at Thu Aug 12 22:21:32 2021, MaxMem=  5368709120 cpu:             250.5 elap:              31.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.32524762D+02

 Leave Link  801 at Thu Aug 12 22:21:33 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 2.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 1.87D-01 7.34D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 3.22D-02 3.94D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 2.17D-03 1.08D-02.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 1.03D-04 1.93D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 2.82D-06 2.39D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 9.75D-08 4.54D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 1.49D-09 8.06D-06.
     11 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 2.45D-11 1.22D-06.
      8 vectors produced by pass  9 Test12= 8.26D-14 8.33D-09 XBig12= 3.25D-13 9.12D-08.
      1 vectors produced by pass 10 Test12= 8.26D-14 8.33D-09 XBig12= 4.14D-15 8.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.644453D+02
      2 -0.277909D+01  0.640162D+02
      3 -0.360914D+00  0.328425D+00  0.476472D+02
 Isotropic polarizability for W=    0.088559       58.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.111925D+01 -0.184540D+02 -0.343206D+01
      2   0.332454D+01  0.272616D+02 -0.755531D+00
      3  -0.220529D+01 -0.880768D+01  0.418759D+01
      4   0.168775D+02  0.683658D+01  0.517424D+01
      5   0.307257D+01  0.396542D+01  0.153150D+02
      6   0.165046D+01  0.179153D+01  0.302489D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.132631D+01 -0.221313D+01 -0.130187D+02
      2   0.730969D+00  0.231268D+01  0.813304D+01
      3   0.970488D+01  0.395044D+01 -0.125380D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.120883D+01  0.254706D+01 -0.390566D+02
      2  -0.650463D+01  0.352378D+01  0.175203D+02
      3   0.353315D+02 -0.351204D+01 -0.231496D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.227231D+00 -0.124156D+00  0.362800D+00
      2  -0.124156D+00 -0.409114D+00 -0.126983D+01
      3   0.362800D+00 -0.126983D+01 -0.855568D-01
 OR G Eigenvalues:    -1.5399     0.1051     1.1674  Iso=     0.0891
 Eigenvectors:
   (1)  -0.085002   0.739955   0.667264
   (2)   0.930910   0.297729  -0.211574
   (3)   0.355219  -0.603179   0.714139
 w=    0.088559 a.u., Optical Rotation Beta=      0.0891 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =       43.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 6.44D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 3.32D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 7.88D-02 4.16D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 1.17D-03 6.69D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 1.58D-05 6.17D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 1.69D-07 5.58D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 1.16D-09 6.07D-06.
     30 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 6.82D-12 4.51D-07.
     29 vectors produced by pass  7 Test12= 1.38D-14 2.78D-09 XBig12= 4.11D-14 2.48D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   239 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 2.83D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 2.83D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.44D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.644453D+02 -0.277909D+01 -0.360914D+00
      2  -0.277909D+01  0.640162D+02  0.328425D+00
      3  -0.360914D+00  0.328425D+00  0.476472D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.132631D+01 -0.221313D+01 -0.130187D+02
      2   0.730969D+00  0.231268D+01  0.813304D+01
      3   0.970488D+01  0.395044D+01 -0.125380D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.111925D+01 -0.184540D+02 -0.343206D+01
      2   0.332454D+01  0.272616D+02 -0.755531D+00
      3  -0.220529D+01 -0.880768D+01  0.418759D+01
      4   0.168775D+02  0.683658D+01  0.517424D+01
      5   0.307257D+01  0.396542D+01  0.153150D+02
      6   0.165046D+01  0.179153D+01  0.302489D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.299866D+01  0.836674D+00  0.171088D+01 -0.440439D+00 -0.464860D+01
      2   0.836674D+00 -0.236903D+01  0.567220D+00 -0.464860D+01 -0.385959D+01
      3   0.171088D+01  0.567220D+00  0.200358D+01 -0.172664D+00  0.797115D+00
                 6             7             8             9            10 
      1  -0.172664D+00  0.256211D+01  0.852918D-01  0.121179D+01 -0.366294D+01
      2   0.797115D+00  0.852918D-01  0.106916D+01 -0.951253D+00 -0.387630D+00
      3  -0.304881D+00  0.121179D+01 -0.951253D+00 -0.813631D+01 -0.122000D+01
                11            12            13            14            15 
      1  -0.387630D+00 -0.122000D+01 -0.105149D+01  0.315973D+01  0.211135D+00
      2   0.241092D+01  0.550334D-01  0.315973D+01  0.106033D+01 -0.117454D+00
      3   0.550334D-01 -0.127484D+01  0.211135D+00 -0.117454D+00  0.392532D+00
                16            17            18            19            20 
      1  -0.223533D+01  0.232307D+00 -0.120938D+01  0.753121D+00  0.204001D+00
      2   0.232307D+00  0.759596D-02 -0.365031D+00  0.204001D+00 -0.448869D+01
      3  -0.120938D+01 -0.365031D+00  0.643819D+01  0.417424D-01  0.114209D-01
                21            22            23            24            25 
      1   0.417424D-01  0.295077D+01 -0.320707D+01 -0.935664D-01 -0.519809D+00
      2   0.114209D-01 -0.320707D+01  0.343540D+01 -0.438203D+00 -0.191589D+00
      3  -0.677136D+00 -0.935664D-01 -0.438203D+00  0.341526D+00 -0.434248D+00
                26            27            28            29            30 
      1  -0.191589D+00 -0.434248D+00 -0.728904D+01 -0.931289D+00  0.260951D+00
      2   0.172250D+00  0.147519D+00 -0.931289D+00  0.346185D+00 -0.470459D-01
      3   0.147519D+00 -0.635134D+00  0.260951D+00 -0.470459D-01 -0.111623D+01
                31            32            33            34            35 
      1  -0.343598D+01 -0.201851D+01  0.118320D+00  0.106221D+01  0.385096D+00
      2  -0.201851D+01 -0.553588D+01  0.288720D+00  0.385096D+00  0.452346D+00
      3   0.118320D+00  0.288720D+00 -0.243054D+00 -0.206828D+01 -0.828881D-01
                36            37            38            39            40 
      1  -0.206828D+01  0.756885D+01 -0.214605D+01 -0.107167D+01  0.742264D+00
      2  -0.828881D-01 -0.214605D+01  0.284363D+01 -0.571139D-01  0.423075D+01
      3   0.510048D+00 -0.107167D+01 -0.571139D-01  0.466487D+00 -0.104689D+00
                41            42            43            44            45 
      1   0.423075D+01 -0.104689D+00 -0.172815D+01  0.533938D+00  0.128541D+01
      2   0.850554D+00 -0.194094D+00  0.533938D+00 -0.820940D+00 -0.642965D+00
      3  -0.194094D+00  0.838830D+00  0.128541D+01 -0.642965D+00 -0.373710D+00
                46            47            48            49            50 
      1  -0.229390D+01  0.245106D+01  0.569545D+00  0.194233D+01 -0.273110D+01
      2   0.245106D+01 -0.327345D+01  0.266239D+00 -0.273110D+01 -0.211908D+01
      3   0.569545D+00  0.266239D+00 -0.868577D+00  0.287978D+00  0.850271D+00
                51            52            53            54            55 
      1   0.287978D+00  0.420800D+00  0.303672D+00 -0.776813D+00  0.431981D+01
      2   0.850271D+00  0.303672D+00  0.105546D+01 -0.238979D+01 -0.251613D+01
      3  -0.220158D+01 -0.776813D+00 -0.238979D+01 -0.332612D+01  0.125022D+00
                56            57            58            59            60 
      1  -0.251613D+01  0.125022D+00 -0.480320D+01  0.237481D+01  0.698124D-02
      2   0.255673D+01 -0.141114D+00  0.237481D+01 -0.120323D+02  0.371012D+00
      3  -0.141114D+00  0.124209D+01  0.698124D-02  0.371012D+00 -0.210409D+01
                61            62            63            64            65 
      1   0.424188D+00 -0.166521D+00  0.101660D+01  0.134738D+01  0.315254D+00
      2  -0.166521D+00  0.490991D+00 -0.287676D+01  0.315254D+00 -0.147509D+00
      3   0.101660D+01 -0.287676D+01  0.679195D+00 -0.102876D+01  0.348337D-01
                66            67            68            69            70 
      1  -0.102876D+01  0.218632D+00 -0.525405D+00 -0.223243D-01 -0.138984D+01
      2   0.348337D-01 -0.525405D+00  0.286914D+00 -0.991181D+00 -0.450410D-01
      3   0.117124D+01 -0.223243D-01 -0.991181D+00  0.137279D+00  0.648284D+00
                71            72            73            74            75 
      1  -0.450410D-01  0.648284D+00  0.281937D+01  0.198629D+01 -0.505889D+00
      2  -0.180304D+01  0.706335D+00  0.198629D+01  0.235668D+01 -0.139061D+00
      3   0.706335D+00 -0.810799D+01 -0.505889D+00 -0.139061D+00  0.545067D+00
                76            77            78            79            80 
      1   0.306289D+01  0.318085D+01  0.184621D-01 -0.108112D+01 -0.355506D+00
      2   0.318085D+01  0.662697D+01 -0.464117D+00 -0.355506D+00 -0.119987D+01
      3   0.184621D-01 -0.464117D+00  0.886912D+00  0.582836D+00  0.984866D+00
                81            82            83            84            85 
      1   0.582836D+00 -0.716027D+00  0.181246D+00  0.106770D+01 -0.320471D+00
      2   0.984866D+00  0.181246D+00  0.681774D-01 -0.323635D+00  0.448696D+00
      3   0.235568D+00  0.106770D+01 -0.323635D+00 -0.119736D+01 -0.661012D-01
                86            87            88            89            90 
      1   0.448696D+00 -0.661012D-01  0.171309D+01 -0.286298D+00  0.164742D+00
      2   0.340522D+00  0.104270D+01 -0.286298D+00  0.141809D+01  0.923954D+00
      3   0.104270D+01 -0.304629D+00  0.164742D+00  0.923954D+00  0.915200D+01
                91            92            93            94            95 
      1  -0.291936D+01  0.844864D+00 -0.100607D+00  0.355423D+01  0.248286D+00
      2   0.844864D+00 -0.719604D+00  0.625527D-02  0.248286D+00  0.568079D+01
      3  -0.100607D+00  0.625527D-02 -0.806066D+00 -0.215765D+00 -0.213489D+00
                96            97            98            99           100 
      1  -0.215765D+00 -0.252782D+00 -0.978718D-01 -0.796144D+00 -0.399408D+00
      2  -0.213489D+00 -0.978718D-01 -0.419580D+00  0.108571D+00 -0.442595D-01
      3   0.451323D+00 -0.796144D+00  0.108571D+00 -0.838010D-02  0.240473D+00
               101           102           103           104           105 
      1  -0.442595D-01  0.240473D+00  0.128749D+00 -0.110770D+00 -0.235819D-01
      2   0.376077D+00  0.207555D+00 -0.110770D+00  0.214171D+01  0.140666D+01
      3   0.207555D+00  0.344266D+00 -0.235819D-01  0.140666D+01  0.146775D+01
               106           107           108           109           110 
      1   0.138057D+01 -0.320987D+00 -0.863578D-01 -0.335116D+00  0.323438D+00
      2  -0.320987D+00  0.299653D+01  0.271285D+01  0.323438D+00  0.817591D+00
      3  -0.863578D-01  0.271285D+01  0.569713D+01 -0.273579D+00 -0.296381D+00
               111           112           113           114           115 
      1  -0.273579D+00  0.856472D+00  0.101653D+00 -0.890318D-01 -0.889205D+00
      2  -0.296381D+00  0.101653D+00  0.754507D+01 -0.215590D+01 -0.203626D+00
      3   0.343831D+00 -0.890318D-01 -0.215590D+01  0.182553D+01  0.890874D-01
               116           117           118           119           120 
      1  -0.203626D+00  0.890874D-01 -0.219141D+01 -0.111747D+01  0.184196D+00
      2  -0.379257D+01  0.220751D+01 -0.111747D+01 -0.777707D+00 -0.144206D+00
      3   0.220751D+01 -0.191443D+01  0.184196D+00 -0.144206D+00 -0.176339D+00
               121           122           123           124           125 
      1  -0.340477D+01 -0.503315D+00  0.144848D+00  0.533275D+00  0.127136D+00
      2  -0.503315D+00 -0.442138D+01 -0.182035D+00  0.127136D+00  0.373581D+00
      3   0.144848D+00 -0.182035D+00 -0.118345D+01  0.372482D+00 -0.482912D+00
               126 
      1   0.372482D+00
      2  -0.482912D+00
      3  -0.210054D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.272317D+01 -0.257798D+01 -0.323613D+01 -0.228829D+01 -0.303246D+01
      2   0.383001D+01  0.130721D+01  0.328054D+01 -0.529384D-01  0.248477D+01
      3   0.460881D+01  0.427226D+01  0.981948D+00  0.102466D+02  0.514091D+00
                 6             7             8             9            10 
      1   0.302694D+00 -0.152509D+01  0.224580D+01  0.784615D+01  0.180049D+01
      2   0.112282D+01 -0.176950D+01 -0.118910D+01 -0.944862D+01 -0.894389D+00
      3  -0.164782D+01  0.190839D+01 -0.122762D+01  0.263698D+01 -0.265729D+01
                11            12            13            14            15 
      1  -0.608675D+00 -0.397069D+00 -0.252073D+01  0.671852D+00 -0.274808D+01
      2  -0.971043D+00  0.129381D+01  0.183462D+01  0.860564D+00  0.272031D+01
      3  -0.463188D+01 -0.117073D+01  0.985230D+00 -0.193053D+01  0.590647D+00
                16            17            18            19            20 
      1   0.820757D+00  0.363623D+01 -0.130619D+01  0.109257D+00  0.152826D+01
      2  -0.478145D+01  0.130752D+01  0.687720D+00 -0.565281D+00 -0.194402D+01
      3  -0.340057D+01  0.389177D+00 -0.716821D+00  0.144231D+01 -0.556726D+01
                21            22            23            24            25 
      1  -0.192065D+01  0.216919D+01  0.262925D+01  0.820702D+01  0.284246D+01
      2  -0.637655D+01 -0.247090D+01  0.543300D+00  0.498097D+00 -0.131421D+02
      3   0.145444D+01 -0.641200D+01  0.230692D+01 -0.104774D+01  0.377124D+01
                26            27            28            29            30 
      1   0.126387D+02 -0.245120D+01  0.509683D+00 -0.787017D-01 -0.219051D+00
      2  -0.436387D+01  0.194265D+01 -0.129109D+01 -0.314207D+00  0.832847D+01
      3  -0.774095D+00  0.101401D+01  0.296176D+01 -0.456013D+01 -0.295989D+00
                31            32            33            34            35 
      1  -0.662581D+00 -0.111651D+01 -0.337606D+01 -0.292723D+01  0.576306D-01
      2   0.105481D+01 -0.565799D+00  0.235908D+01  0.296150D+01  0.313348D+01
      3   0.320525D+00 -0.202811D+02  0.876242D+00 -0.476830D+00  0.232392D+01
                36            37            38            39            40 
      1   0.639992D+00  0.487045D-02 -0.140035D+00  0.300446D+01  0.127434D+00
      2  -0.174789D+01 -0.227387D+01  0.122150D+01  0.589080D+01 -0.546560D-01
      3   0.121440D+01 -0.307722D+01 -0.167864D+02 -0.946631D+00 -0.116172D+02
                41            42            43            44            45 
      1  -0.137536D+01 -0.419381D+01 -0.300006D+00  0.377138D+01 -0.137400D+01
      2  -0.664268D+00 -0.602733D+00 -0.969657D-01 -0.981774D+00 -0.200345D+01
      3  -0.503069D+01  0.818268D+00  0.302490D+00  0.271091D+01  0.147253D+01
                46            47            48            49            50 
      1  -0.113377D+01  0.250975D+00  0.234944D+01  0.425442D+00 -0.465380D+01
      2  -0.110358D+01  0.159177D+01  0.637753D+01 -0.312646D-01 -0.241339D+01
      3  -0.408742D+00 -0.541414D+01  0.652255D+00  0.537430D+01 -0.836018D+01
                51            52            53            54            55 
      1   0.811420D+00  0.137572D+01  0.982975D+01  0.578394D+01 -0.234856D+00
      2   0.205528D+01 -0.134163D+01  0.383593D+01  0.402549D+01  0.377091D+00
      3   0.156552D+01  0.111740D+01  0.237705D+01 -0.504582D+01 -0.819261D+01
                56            57            58            59            60 
      1  -0.685733D+00  0.198129D+01  0.293000D+00  0.816031D+00 -0.111037D+02
      2   0.800691D+00  0.398088D+01 -0.175896D+00 -0.911234D+00 -0.122720D+01
      3   0.938174D+00 -0.561991D+00  0.172137D+02 -0.709521D+01  0.449897D+00
                61            62            63            64            65 
      1  -0.830559D+00 -0.156967D+01  0.175270D+01  0.405447D+00 -0.246891D+00
      2  -0.211043D+01  0.368465D+01 -0.478641D+00  0.118688D+01  0.232034D+00
      3  -0.250797D+01 -0.199236D+00 -0.361216D+01  0.772903D+00 -0.390711D+00
                66            67            68            69            70 
      1  -0.354815D+00  0.265747D+00 -0.332168D+00 -0.840074D-01 -0.594290D+00
      2   0.911189D+00  0.134725D-01 -0.221854D+00 -0.364313D+00 -0.225636D+01
      3  -0.749680D+00  0.148429D+01 -0.238442D+00  0.948074D-01 -0.737450D+00
                71            72            73            74            75 
      1   0.263779D+01  0.405014D+01  0.157741D+01  0.142545D+01 -0.122333D+01
      2   0.415425D+00 -0.563235D+00 -0.126000D+01 -0.794761D+00  0.196092D+01
      3   0.275330D+00  0.131819D+00  0.193061D+00 -0.340271D+01 -0.350153D+00
                76            77            78            79            80 
      1   0.103465D+01  0.300205D+01 -0.331912D+01 -0.558876D+00 -0.463705D+00
      2  -0.387456D+00 -0.133243D+01  0.224150D+01  0.164604D+00  0.134979D+01
      3   0.486134D+00 -0.818510D+01  0.100404D+01 -0.128111D+01  0.164693D+01
                81            82            83            84            85 
      1   0.314729D+00 -0.499032D+00 -0.217089D-01  0.810787D+00  0.219063D+00
      2   0.139588D-01  0.261480D+01 -0.844994D+00 -0.103814D+01 -0.133505D+00
      3  -0.885730D+00 -0.141844D+01 -0.639964D+00  0.117637D+01 -0.794017D-01
                86            87            88            89            90 
      1  -0.676029D+00  0.242791D+00 -0.192009D+00  0.351225D+01 -0.737842D+01
      2   0.133125D+01 -0.319425D+00 -0.451500D+01  0.160476D+01  0.126271D+02
      3   0.549463D-02 -0.132200D+01  0.177957D+01 -0.243846D+01 -0.175978D+01
                91            92            93            94            95 
      1   0.297950D+00  0.145913D+00  0.112288D+01  0.977783D-01  0.127743D+01
      2   0.232992D-01 -0.149458D+00  0.107411D+01 -0.245491D+00  0.358614D+00
      3  -0.251901D+00 -0.302273D+01 -0.116126D+00  0.302560D+00  0.225485D+02
                96            97            98            99           100 
      1   0.117946D+01  0.556025D+00  0.255751D+01 -0.304317D-01 -0.508781D+00
      2  -0.219561D+01 -0.223566D+00 -0.110550D+01  0.316217D+00 -0.111737D+01
      3  -0.644434D+00  0.153629D+00 -0.161718D+01 -0.393813D+00 -0.646150D+00
               101           102           103           104           105 
      1   0.198965D+00 -0.896988D+00  0.295745D+00 -0.221470D+01 -0.382460D+01
      2  -0.959162D-01 -0.493450D+00 -0.403499D-01 -0.177401D+01 -0.188884D+01
      3  -0.628559D+00  0.451775D+00  0.715096D+00  0.196642D+01  0.132274D+01
               106           107           108           109           110 
      1  -0.243463D+00 -0.364007D+01 -0.113587D+02  0.470496D-01  0.423713D+00
      2  -0.284096D+01 -0.293115D+01 -0.630079D+01  0.459924D+00  0.485736D+00
      3   0.336705D+01  0.223303D+01  0.291665D+01 -0.226006D+00  0.711568D+00
               111           112           113           114           115 
      1  -0.109205D+01 -0.896362D-02  0.360929D+01 -0.478242D+01 -0.273315D+00
      2  -0.327529D+00  0.801615D+00  0.289450D+01 -0.194261D+01 -0.126690D+01
      3  -0.775389D+00  0.395580D+01  0.805918D+01 -0.250411D+01 -0.310703D+01
               116           117           118           119           120 
      1  -0.326686D+01  0.389396D+01  0.347457D+00  0.386451D+00  0.712175D-01
      2  -0.268959D+01  0.158728D+01 -0.165958D+00 -0.359837D+00 -0.103809D+01
      3  -0.468643D+01  0.264230D+01  0.828904D+01  0.711342D+01  0.853579D-01
               121           122           123           124           125 
      1   0.732053D+00  0.123041D+01 -0.113604D+01  0.460360D+00  0.623236D-01
      2  -0.112063D+00 -0.590002D+00 -0.245636D+01 -0.100720D+01 -0.681765D+00
      3   0.925040D+01  0.143318D+02  0.264662D+00 -0.888826D+00 -0.101333D+01
               126 
      1  -0.218115D+00
      2  -0.478513D+00
      3   0.385429D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128483D+01  0.130999D+01 -0.131586D+01  0.725132D+01 -0.533827D+01
      2  -0.320850D+01 -0.530464D+01 -0.390578D+01 -0.107857D+02 -0.941984D+01
      3   0.449333D+01  0.399465D+01  0.522164D+01  0.353438D+01  0.147581D+02
      4   0.292429D+01 -0.113957D+02  0.474671D+01 -0.185252D+02 -0.184928D+02
      5   0.744496D+01  0.103692D+01  0.178064D+01 -0.234004D+01  0.228236D+01
      6   0.343332D+01  0.301040D+01  0.624082D+01 -0.656697D+00 -0.466985D+00
                 6             7             8             9            10 
      1   0.137057D+01  0.608901D+01  0.187658D+01  0.152692D+02 -0.444867D+01
      2   0.396773D+01 -0.426863D+01  0.148767D+01  0.618488D+01  0.382559D+01
      3  -0.533831D+01 -0.182037D+01 -0.336425D+01 -0.214541D+02  0.623083D+00
      4   0.180052D+01  0.824265D+00  0.418175D+01 -0.254143D+01 -0.493229D+00
      5   0.293755D+01  0.264938D+01 -0.157113D+01 -0.154745D+02 -0.228807D+01
      6  -0.349223D+01  0.220411D+01 -0.753805D+00 -0.997160D+01 -0.244263D+01
                11            12            13            14            15 
      1  -0.610507D+01 -0.115624D+01  0.231106D+01 -0.128337D+00  0.146733D+01
      2   0.106889D+02  0.112104D+00  0.194069D+01  0.499143D+00 -0.253417D+00
      3  -0.458381D+01  0.104414D+01 -0.425175D+01 -0.370807D+00 -0.121391D+01
      4  -0.243488D+01 -0.288745D+01 -0.435064D+01  0.783156D+01  0.857820D+00
      5  -0.763148D+00 -0.121692D+01  0.966358D+00  0.115561D+01  0.297705D+01
      6  -0.748512D+00 -0.119331D+01 -0.319393D-01 -0.356498D+00 -0.354939D-01
                16            17            18            19            20 
      1  -0.148259D+01 -0.632329D+00  0.579532D+01 -0.156421D+02 -0.844699D+01
      2  -0.786996D+00 -0.460041D+01  0.954532D+01  0.915150D+01  0.114926D+02
      3   0.226959D+01  0.523274D+01 -0.153406D+02  0.649058D+01 -0.304557D+01
      4  -0.431072D+01 -0.290358D+00 -0.223551D+01  0.849461D+00 -0.853202D+00
      5  -0.900609D+00 -0.114206D+01  0.538792D+01  0.130873D+01 -0.103107D+01
      6  -0.287732D+01  0.261356D-01  0.787329D+01  0.178287D+00 -0.652998D+00
                21            22            23            24            25 
      1   0.918228D+00  0.130445D+01  0.218530D+02 -0.222593D+01  0.132638D+01
      2  -0.180282D+01  0.115001D+00 -0.308772D+02 -0.389571D+00 -0.148710D+01
      3   0.884591D+00 -0.141945D+01  0.902420D+01  0.261550D+01  0.160712D+00
      4  -0.248576D+00 -0.909807D+01  0.407689D+01 -0.322276D+00  0.319857D+01
      5  -0.103260D+02 -0.381620D+00 -0.122725D+01  0.250487D+01  0.353202D+01
      6   0.446165D+01 -0.322683D+00 -0.253094D+00 -0.983472D+01 -0.192067D+00
                26            27            28            29            30 
      1  -0.457692D+01 -0.372157D+01  0.440585D+02  0.428438D+01 -0.133705D+01
      2   0.404841D+01 -0.745540D+01 -0.268885D+02 -0.228224D+01  0.150491D+01
      3   0.528505D+00  0.111770D+02 -0.171700D+02 -0.200214D+01 -0.167859D+00
      4   0.101013D+01  0.762285D+00  0.113492D+02  0.860481D+01  0.735341D+00
      5  -0.145345D+01  0.210133D+01 -0.195734D+01  0.812946D+00  0.160951D+02
      6   0.214634D+01  0.280352D+01  0.639127D+00  0.677000D+00  0.771689D+00
                31            32            33            34            35 
      1   0.115669D+02  0.463104D+01  0.429639D+00 -0.217019D+01  0.754102D+00
      2  -0.662690D+01 -0.284597D+00 -0.462292D-01  0.228502D+01  0.414614D+00
      3  -0.494004D+01 -0.434645D+01 -0.383410D+00 -0.114825D+00 -0.116872D+01
      4   0.152853D+02  0.170448D+02 -0.877446D+00 -0.526829D+00 -0.139697D+01
      5   0.342166D-01 -0.134596D+01  0.266115D+01  0.141635D+02  0.121250D+01
      6  -0.258776D+00 -0.619754D+00  0.601744D+01  0.371399D+01  0.469481D+01
                36            37            38            39            40 
      1   0.525285D+01  0.426212D+02 -0.519877D+01 -0.193641D+01 -0.267379D+01
      2  -0.768293D+01 -0.260420D+02 -0.268324D-01  0.374358D+01 -0.485793D-01
      3   0.243008D+01 -0.165792D+02  0.522561D+01 -0.180716D+01  0.272237D+01
      4   0.371786D+01 -0.112568D+02  0.155851D+02 -0.391079D+00  0.168523D+02
      5  -0.326381D+01 -0.543235D+01  0.230802D+00  0.111497D+02  0.940622D+00
      6  -0.904008D+00 -0.462329D+00 -0.864223D+00 -0.387395D+01  0.574143D-01
                41            42            43            44            45 
      1   0.105632D+02 -0.342434D+01 -0.724894D+01  0.457653D+00  0.161854D+01
      2  -0.298431D+01 -0.681859D+00  0.540977D+01  0.656956D+00 -0.768259D+01
      3  -0.757893D+01  0.410620D+01  0.183917D+01 -0.111461D+01  0.606405D+01
      4   0.237011D+00 -0.125550D+01  0.288168D+01 -0.323354D+01 -0.266473D+01
      5  -0.210025D+01 -0.148342D+01  0.121842D+02 -0.434965D+01 -0.447325D+01
      6   0.191002D+01  0.823729D+01 -0.196320D+01  0.464128D+01  0.228263D+01
                46            47            48            49            50 
      1   0.429431D+01  0.736025D+01 -0.151005D+01  0.102432D+01  0.954658D+01
      2   0.457557D+01 -0.133669D+02  0.136061D+01 -0.616617D+01 -0.887498D+01
      3  -0.886988D+01  0.600665D+01  0.149441D+00  0.514186D+01 -0.671603D+00
      4  -0.571654D+01  0.171317D+02  0.191302D+01  0.157905D+02 -0.710793D+01
      5  -0.400400D+00  0.923288D+00  0.708625D+01 -0.342027D+00 -0.262535D+01
      6   0.181644D+01  0.159887D+01 -0.524341D+01  0.831273D+00  0.710558D+01
                51            52            53            54            55 
      1  -0.168904D+01 -0.203735D+01 -0.236236D+01  0.107829D+02 -0.417144D+00
      2   0.622457D+01  0.135231D+01  0.806424D+01 -0.122732D+02  0.497784D+01
      3  -0.453553D+01  0.685046D+00 -0.570188D+01  0.149029D+01 -0.456070D+01
      4  -0.122502D+01  0.735392D+00 -0.189756D+01 -0.124893D+01 -0.680087D+01
      5   0.166131D+01  0.593150D+01  0.388110D+01  0.422159D+01  0.104576D+00
      6  -0.686811D+01 -0.301114D+01 -0.106564D+02 -0.122170D+02 -0.431068D+00
                56            57            58            59            60 
      1   0.719237D+01 -0.772806D+00  0.609832D+01 -0.387289D+02  0.806999D+00
      2  -0.105416D+02  0.449192D+00 -0.729136D+01  0.577215D+02 -0.211847D+00
      3   0.334919D+01  0.323615D+00  0.119304D+01 -0.189926D+02 -0.595153D+00
      4   0.132542D+02 -0.574926D+00  0.166837D+02  0.151115D+01  0.124807D+00
      5  -0.309548D+00  0.597904D+01 -0.364038D+00  0.607382D+00 -0.972199D+00
      6   0.559079D+00 -0.407446D+01  0.428277D+00 -0.144105D+00  0.176825D+02
                61            62            63            64            65 
      1  -0.105000D+00  0.282806D+01 -0.985012D+01  0.710956D+00  0.757762D+00
      2   0.434286D+00 -0.209685D+01  0.741737D+01 -0.416577D+01 -0.101921D+01
      3  -0.329286D+00 -0.731210D+00  0.243275D+01  0.345481D+01  0.261453D+00
      4  -0.146251D+01 -0.108238D+00  0.420539D+00  0.105217D+01  0.195325D+01
      5   0.340934D+01  0.268414D+01 -0.750914D-01 -0.134775D+01 -0.284576D+00
      6  -0.322575D+01  0.157698D+02 -0.274230D+01 -0.149823D+01 -0.423465D+00
                66            67            68            69            70 
      1   0.833810D+00  0.286208D+00 -0.318859D+01  0.329414D+00  0.358344D+00
      2   0.168767D+01  0.268798D+00  0.524297D+00 -0.142449D+01  0.232980D+01
      3  -0.252148D+01 -0.555006D+00  0.266430D+01  0.109507D+01 -0.268815D+01
      4  -0.119867D+01  0.215393D+01  0.136025D+00 -0.546243D+00 -0.125434D+01
      5   0.649250D+01 -0.114815D+00 -0.119683D+01 -0.399362D+00  0.472177D+01
      6   0.131213D+01 -0.796976D+00 -0.102780D+01  0.593759D+01  0.117603D+01
                71            72            73            74            75 
      1   0.258175D+01 -0.154674D+02  0.106073D+02  0.518652D+01 -0.143240D+01
      2  -0.334358D+00 -0.156472D+02 -0.781371D+00  0.241246D+01 -0.901440D-02
      3  -0.224739D+01  0.311146D+02 -0.982591D+01 -0.759898D+01  0.144142D+01
      4   0.361787D+00  0.952615D+00  0.149235D+02  0.154648D+02 -0.129901D+01
      5   0.730327D+00 -0.448479D+01 -0.819617D+00  0.142130D-01  0.317809D+01
      6   0.524775D+01 -0.107609D+02 -0.599349D+00 -0.151745D+00  0.185642D+01
                76            77            78            79            80 
      1   0.542161D+01 -0.291748D+01  0.453020D+00 -0.286919D+01  0.730324D+00
      2   0.451577D+01  0.200656D+02 -0.190683D+01  0.795171D+00 -0.300914D+01
      3  -0.993738D+01 -0.171482D+02  0.145381D+01  0.207402D+01  0.227882D+01
      4   0.193256D+02  0.299736D+02 -0.187104D+01 -0.327490D+01 -0.450358D+01
      5   0.580004D+00 -0.762356D+00  0.383901D+01  0.365386D+01  0.411583D+01
      6   0.905168D+00  0.231845D+00  0.452922D+01  0.238288D+01  0.459500D+01
                81            82            83            84            85 
      1  -0.135351D+01 -0.195149D+01  0.126534D+01  0.595757D+01 -0.145074D+01
      2   0.366682D+00 -0.139887D+01  0.361383D+00 -0.147655D+01  0.181071D+01
      3   0.986830D+00  0.335036D+01 -0.162673D+01 -0.448102D+01 -0.359970D+00
      4   0.475584D+01  0.126091D-01  0.252938D+01  0.203436D+00  0.295675D+01
      5  -0.293150D+00  0.199290D+01 -0.180755D+00  0.373780D+01 -0.194239D+00
      6  -0.117881D+01  0.767224D+00 -0.151997D+01 -0.220875D+01  0.535290D-01
                86            87            88            89            90 
      1  -0.171579D+01 -0.119098D+01  0.519043D+01 -0.381914D+01 -0.199142D+02
      2   0.652795D-01  0.182251D+01 -0.287445D+01  0.168973D+01 -0.150074D+02
      3   0.165051D+01 -0.631532D+00 -0.231598D+01  0.212941D+01  0.349217D+02
      4   0.213135D+01  0.239143D+01  0.130793D+01  0.353284D+01  0.384997D+01
      5   0.226275D+01 -0.101319D+01  0.591202D+01  0.222481D+01  0.216358D+02
      6   0.116889D+01  0.547083D+01  0.199191D+00  0.608316D+01  0.109711D+02
                91            92            93            94            95 
      1   0.116859D+02 -0.446402D+01  0.204276D+00 -0.157652D+02 -0.107183D+01
      2  -0.653763D+01  0.224084D+01 -0.122454D+00  0.105950D+02  0.124671D+01
      3  -0.514824D+01  0.222318D+01 -0.818216D-01  0.517021D+01 -0.174879D+00
      4  -0.769733D+01  0.336660D+01 -0.324548D+00 -0.115391D+01 -0.160175D+02
      5   0.172751D+00 -0.240558D-01  0.246587D+01  0.516973D+00  0.101246D+01
      6  -0.156758D+00 -0.622652D-01 -0.166290D+01 -0.229484D+00  0.749342D+00
                96            97            98            99           100 
      1   0.361279D+00  0.105595D+01  0.338817D+00  0.178521D+01  0.162271D+01
      2  -0.445752D+00 -0.735909D+00 -0.461284D+00 -0.246260D+01 -0.178588D+01
      3   0.844735D-01 -0.320040D+00  0.122467D+00  0.677397D+00  0.163168D+00
      4   0.309229D+00  0.304438D+00  0.944692D+00 -0.154575D+01 -0.143317D+01
      5  -0.331525D+01  0.422001D+01 -0.939077D+00  0.357434D+00  0.304026D+00
      6  -0.203898D+01 -0.888113D+00  0.688965D+00  0.115035D+00  0.114752D+01
               101           102           103           104           105 
      1  -0.167986D+01 -0.104150D+01 -0.315403D+00 -0.769282D+01 -0.456270D+01
      2   0.187318D+01  0.509743D+00  0.223111D-01  0.104655D+02  0.577516D+01
      3  -0.193319D+00  0.531757D+00  0.293092D+00 -0.277264D+01 -0.121247D+01
      4   0.124029D+01  0.151420D+01  0.209899D+01 -0.192615D+01 -0.127672D+01
      5   0.746739D+00  0.168131D+01  0.336760D+00 -0.146865D+01 -0.224842D+01
      6   0.124629D+01  0.192550D+01 -0.197484D+00  0.787406D+01  0.984415D+01
               106           107           108           109           110 
      1  -0.436018D+00 -0.100613D+02 -0.127749D+02  0.786098D+00 -0.306262D+01
      2  -0.147533D+00  0.101357D+02  0.430776D+01  0.147500D+00  0.458935D+01
      3   0.583551D+00 -0.743998D-01  0.846712D+01 -0.933598D+00 -0.152673D+01
      4   0.433707D+01 -0.237895D+01 -0.137764D+01 -0.916894D-01  0.312423D+01
      5   0.187217D+01 -0.337870D+01 -0.714174D+01 -0.966989D-01 -0.824489D+00
      6  -0.253228D+00  0.142772D+02  0.246226D+02 -0.199691D+01 -0.223215D+01
               111           112           113           114           115 
      1   0.130919D+01 -0.148627D+01 -0.229802D+02  0.711146D+01  0.133215D+01
      2  -0.160255D+01  0.856836D+00  0.383623D+02 -0.113984D+02 -0.110544D+01
      3   0.293359D+00  0.629434D+00 -0.153821D+02  0.428691D+01 -0.226705D+00
      4  -0.160802D+01  0.456412D+01 -0.666859D+01  0.185500D+01 -0.251316D+01
      5   0.117682D+01 -0.286501D+00  0.325916D+01 -0.243932D+01  0.113376D+01
      6   0.238966D+01 -0.417065D-02 -0.151653D+02  0.110959D+02  0.319948D+00
               116           117           118           119           120 
      1   0.119180D+02 -0.843672D+01 -0.671565D+01 -0.210474D+01  0.798039D+00
      2  -0.163172D+02  0.878903D+01  0.516698D+01  0.735475D+00 -0.208032D+00
      3   0.439917D+01 -0.352313D+00  0.154867D+01  0.136927D+01 -0.590007D+00
      4   0.285056D+01 -0.139749D+01 -0.400736D+00 -0.355451D+01 -0.251991D+00
      5  -0.308641D+01  0.215551D+01  0.653375D+00 -0.188378D-01 -0.163297D+01
      6   0.142563D+02 -0.107847D+02 -0.394650D+00 -0.436310D+00 -0.701102D+00
               121           122           123           124           125 
      1  -0.117201D+02 -0.550904D+01  0.544321D+00  0.123764D+01 -0.252207D+00
      2   0.708813D+01  0.884545D+01 -0.593722D+00 -0.959690D+00  0.102959D+00
      3   0.463194D+01 -0.333641D+01  0.494010D-01 -0.277949D+00  0.149248D+00
      4   0.186191D+01 -0.155085D+02 -0.325478D+00 -0.246888D+00  0.927428D+00
      5   0.648347D+00  0.146922D+00 -0.470978D+01  0.196240D+01 -0.170732D+01
      6  -0.138366D+00 -0.677785D+00  0.110184D+01 -0.364433D+00  0.299965D+01
               126 
      1  -0.750375D+00
      2  -0.164529D+00
      3   0.914904D+00
      4  -0.144764D+01
      5  -0.101422D+01
      6   0.219605D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:26:46 2021, MaxMem=  5368709120 cpu:            2498.5 elap:             313.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31815 -19.26620 -19.26475 -14.48577 -10.44708
 Alpha  occ. eigenvalues --  -10.36886 -10.36505  -1.21296  -1.13242  -1.11632
 Alpha  occ. eigenvalues --   -1.02803  -0.85082  -0.76277  -0.70994  -0.66284
 Alpha  occ. eigenvalues --   -0.62018  -0.60339  -0.58519  -0.55684  -0.54668
 Alpha  occ. eigenvalues --   -0.53030  -0.48971  -0.47905  -0.44574  -0.42127
 Alpha  occ. eigenvalues --   -0.41301  -0.37440  -0.35585
 Alpha virt. eigenvalues --    0.05111   0.07543   0.09876   0.10328   0.10731
 Alpha virt. eigenvalues --    0.14127   0.14573   0.15215   0.16027   0.16807
 Alpha virt. eigenvalues --    0.19623   0.19740   0.20644   0.21153   0.21878
 Alpha virt. eigenvalues --    0.22616   0.23066   0.23272   0.24483   0.26549
 Alpha virt. eigenvalues --    0.26880   0.27798   0.28891   0.30148   0.32284
 Alpha virt. eigenvalues --    0.32749   0.33131   0.34029   0.35535   0.35867
 Alpha virt. eigenvalues --    0.36418   0.37943   0.39053   0.39922   0.40466
 Alpha virt. eigenvalues --    0.41066   0.41882   0.42933   0.43385   0.43921
 Alpha virt. eigenvalues --    0.44742   0.45518   0.46032   0.47375   0.48453
 Alpha virt. eigenvalues --    0.50254   0.50748   0.52051   0.53823   0.54068
 Alpha virt. eigenvalues --    0.54555   0.56033   0.56480   0.57002   0.57837
 Alpha virt. eigenvalues --    0.58320   0.59907   0.60943   0.61382   0.62035
 Alpha virt. eigenvalues --    0.63308   0.64376   0.64757   0.65305   0.66504
 Alpha virt. eigenvalues --    0.67972   0.69925   0.71367   0.71915   0.72952
 Alpha virt. eigenvalues --    0.73515   0.75579   0.76264   0.77448   0.78638
 Alpha virt. eigenvalues --    0.79441   0.80707   0.82774   0.85092   0.86125
 Alpha virt. eigenvalues --    0.86839   0.87748   0.90082   0.90372   0.94639
 Alpha virt. eigenvalues --    0.98672   0.99297   1.02439   1.03273   1.04857
 Alpha virt. eigenvalues --    1.09451   1.09947   1.11062   1.12793   1.16324
 Alpha virt. eigenvalues --    1.18638   1.20537   1.21701   1.24955   1.26495
 Alpha virt. eigenvalues --    1.29093   1.32684   1.39387   1.40938   1.44815
 Alpha virt. eigenvalues --    1.46954   1.52601   1.55019   1.57713   1.59708
 Alpha virt. eigenvalues --    1.61895   1.63689   1.65618   1.68943   1.72074
 Alpha virt. eigenvalues --    1.74372   1.76624   1.81125   1.83720   1.85871
 Alpha virt. eigenvalues --    1.87262   1.89584   1.90405   1.94514   1.95430
 Alpha virt. eigenvalues --    1.97051   1.99153   2.02094   2.02372   2.04418
 Alpha virt. eigenvalues --    2.06094   2.07151   2.10392   2.13154   2.16380
 Alpha virt. eigenvalues --    2.17388   2.19669   2.21172   2.26251   2.26290
 Alpha virt. eigenvalues --    2.28309   2.31157   2.32745   2.36924   2.41609
 Alpha virt. eigenvalues --    2.43557   2.46339   2.49766   2.52216   2.56419
 Alpha virt. eigenvalues --    2.59765   2.62732   2.67769   2.77996   2.91149
 Alpha virt. eigenvalues --    2.93452   2.95007   2.98889   3.02326   3.06577
 Alpha virt. eigenvalues --    3.09005   3.12220   3.13591   3.17468   3.18106
 Alpha virt. eigenvalues --    3.22351   3.26329   3.33180   3.34741   3.45668
 Alpha virt. eigenvalues --    3.55392   3.59296   3.63427   3.68930   3.89596
 Alpha virt. eigenvalues --    4.02594   4.07583
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.204981   0.259698  -0.035569  -0.006511   0.126452  -0.022424
     2  C    0.259698   5.532044  -0.085587  -0.043130  -0.002453  -0.042802
     3  C   -0.035569  -0.085587   5.174739   0.063065  -0.040547  -0.117801
     4  O   -0.006511  -0.043130   0.063065   8.195550   0.003251   0.026851
     5  O    0.126452  -0.002453  -0.040547   0.003251   8.144430   0.007725
     6  N   -0.022424  -0.042802  -0.117801   0.026851   0.007725   7.321323
     7  O   -0.013680   0.043093   0.187110   0.015590  -0.041292   0.007117
     8  H    0.019219   0.310763   0.036817  -0.002699  -0.003857  -0.011658
     9  H    0.350208   0.024176  -0.003818   0.002658  -0.034475   0.019471
    10  H    0.366787   0.057586   0.030722  -0.011738  -0.026147  -0.028190
    11  H    0.003555  -0.018293   0.117808   0.192166  -0.000828  -0.041112
    12  H   -0.012249   0.034236   0.031810  -0.014295  -0.004571   0.173491
    13  H   -0.005159   0.112253   0.008799  -0.002146   0.000911   0.098825
    14  H    0.018472  -0.022948   0.005404   0.003441   0.292931   0.002409
               7          8          9         10         11         12
     1  C   -0.013680   0.019219   0.350208   0.366787   0.003555  -0.012249
     2  C    0.043093   0.310763   0.024176   0.057586  -0.018293   0.034236
     3  C    0.187110   0.036817  -0.003818   0.030722   0.117808   0.031810
     4  O    0.015590  -0.002699   0.002658  -0.011738   0.192166  -0.014295
     5  O   -0.041292  -0.003857  -0.034475  -0.026147  -0.000828  -0.004571
     6  N    0.007117  -0.011658   0.019471  -0.028190  -0.041112   0.173491
     7  O    8.345470  -0.007686   0.007816  -0.002354  -0.022387  -0.002866
     8  H   -0.007686   0.637706  -0.034115   0.010017   0.001385   0.014855
     9  H    0.007816  -0.034115   0.869126  -0.041302  -0.001327   0.001235
    10  H   -0.002354   0.010017  -0.041302   0.790659   0.002658  -0.004982
    11  H   -0.022387   0.001385  -0.001327   0.002658   0.492903  -0.011192
    12  H   -0.002866   0.014855   0.001235  -0.004982  -0.011192   0.749788
    13  H   -0.001448  -0.031909  -0.004693   0.004700   0.003375  -0.100647
    14  H    0.034007  -0.000569   0.004615  -0.009104   0.000100   0.000879
              13         14
     1  C   -0.005159   0.018472
     2  C    0.112253  -0.022948
     3  C    0.008799   0.005404
     4  O   -0.002146   0.003441
     5  O    0.000911   0.292931
     6  N    0.098825   0.002409
     7  O   -0.001448   0.034007
     8  H   -0.031909  -0.000569
     9  H   -0.004693   0.004615
    10  H    0.004700  -0.009104
    11  H    0.003375   0.000100
    12  H   -0.100647   0.000879
    13  H    0.765138  -0.000241
    14  H   -0.000241   0.440718
 Mulliken charges:
               1
     1  C    0.746219
     2  C   -0.158638
     3  C    0.627048
     4  O   -0.422054
     5  O   -0.421531
     6  N   -0.393226
     7  O   -0.548490
     8  H    0.061732
     9  H   -0.159576
    10  H   -0.139313
    11  H    0.281189
    12  H    0.144510
    13  H    0.152243
    14  H    0.229885
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.447331
     2  C   -0.096906
     3  C    0.627048
     4  O   -0.140865
     5  O   -0.191646
     6  N   -0.096472
     7  O   -0.548490
 Electronic spatial extent (au):  <R**2>=            768.5283
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0176    Y=              5.0845    Z=              0.0940  Tot=              5.1862
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.5967   YY=            -40.6800   ZZ=            -39.4321
   XY=             -2.2362   XZ=              1.3478   YZ=              0.4025
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.0271   YY=              2.8896   ZZ=              4.1375
   XY=             -2.2362   XZ=              1.3478   YZ=              0.4025
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.3508  YYY=             20.1431  ZZZ=              0.1077  XYY=              5.2602
  XXY=              5.7233  XXZ=              2.0962  XZZ=             -1.9712  YZZ=              2.7561
  YYZ=             -1.8460  XYZ=             -1.1702
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -569.5863 YYYY=           -331.4135 ZZZZ=            -64.4184 XXXY=             -5.5872
 XXXZ=              4.1889 YYYX=            -16.8115 YYYZ=             -3.1402 ZZZX=             -0.7306
 ZZZY=              0.3477 XXYY=           -141.1175 XXZZ=            -99.2073 YYZZ=            -63.1584
 XXYZ=              1.4305 YYXZ=             -1.5436 ZZXY=             -2.4902
 N-N= 3.270847169217D+02 E-N=-1.587086389404D+03  KE= 3.948379655154D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:26:46 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.90959536D-01 1.94418336D+00 2.27263548D-02
 Polarizability= 6.01322111D+01-2.53901543D+00 6.02053588D+01
                -4.55054546D-01 2.62461669D-01 4.38429111D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1795    0.1805       -1.3895   -1.3895
 2     -0.1795   -0.1805       -0.1647   -0.1642       -0.2170   -0.2146
 3      1.3895    1.3895        8.4015    8.3990        0.1645    0.1642
 4      0.1647    0.1642        0.0000    0.0000        1.3888    1.3895
 5     -8.1845   -8.1845       -1.3888   -1.3895        0.1793    0.1805
 6     -0.1645   -0.1642       -0.1793   -0.1805        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.5414   -0.5414       -4.1686   -4.1686
 2      0.4926    0.4926        0.0000    0.0000       -4.1686   -4.1686
 3      0.4926    0.4926       -0.5414   -0.5414       -0.0000    0.0000
 4     -0.5414   -0.5414       -0.4926   -0.4926       -0.6437   -0.6437
 5      4.1686    4.1686       25.1971   25.1971        0.4926    0.4926
 6    -24.5534  -24.5534       -4.1686   -4.1686        0.5414    0.5414
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0672    0.0000       -0.9342   -0.7218        6.1305    5.5582
 2      0.5679    0.7218        0.7158    0.6568        1.0727    0.8583
 3     -5.5350   -5.5582      -33.6971  -33.5962       -0.6336   -0.6568
 4     -0.7975   -0.6568       -0.1117    0.0000       -5.5350   -5.5582
 5     32.8872   32.7379        5.3849    5.5582       -0.4163   -0.7218
 6      0.6751    0.6568        0.6024    0.7218        0.0217    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1428    0.0000       -3.3542   -3.3138        1.5495    1.4822
 2      3.0709    3.3138       12.3669   12.0835       -7.3864   -7.2780
 3     -1.5764   -1.4822        0.0527    0.1450      -14.0527  -12.0835
 4    -12.0955  -12.0835       -0.0351    0.0000       -1.7924   -1.4822
 5      6.6816    7.1330        1.7777    1.4822       -5.0230   -3.3138
 6     12.1224   12.0835        3.3157    3.3138        0.0594    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.5012    5.5298       13.3793   13.3714        1.3369    1.2810
 2     -8.5852   -8.4785        9.5876    9.6463        1.0756    1.2810
 3     -8.5422   -8.4785       13.3122   13.3714       -2.7891   -2.6765
 4      3.7915    3.7251       13.9632   14.0083       -9.8581   -9.4652
 5     -4.2802   -3.9576       -2.4445   -2.2123      -16.0224  -14.0083
 6     11.2236   11.6775        4.3134    3.9576       -6.2075   -3.7251
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.7733   -2.0204    0.0008    0.0010    0.0011    6.6203
 Low frequencies ---   69.3773  165.8638  234.5603
 Diagonal vibrational polarizability:
       29.7891697      20.8644254      19.0187297
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     69.3760               165.8634               234.5601
 Red. masses --      6.6043                 2.7109                 4.7811
 Frc consts  --      0.0187                 0.0439                 0.1550
 IR Inten    --      1.9471                 6.5801                10.1830
 RamAct Fr= 1--      0.4913                 0.0431                 0.2504
  Dep-P Fr= 1--      0.7450                 0.5762                 0.3109
  Dep-U Fr= 1--      0.8539                 0.7312                 0.4743
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0025
 Beta2  Fr= 1--      0.0699                 0.0053                 0.0198
 AlphaG Fr= 1--     -0.0007                 0.0005                 0.0031
 Gamma2 Fr= 1--     -0.0039                -0.0779                -0.1180
 Delta2 Fr= 1--     -0.0159                -0.0021                -0.0379
 Raman1 Fr= 1--       1.965                  0.173                  1.002
 ROA1   Fr= 1--      -0.882                 -7.547                -12.540
 CID1   Fr= 1--      -0.449                -43.733                -12.518
 Raman2 Fr= 1--       0.839                  0.063                  0.238
 ROA2   Fr= 1--       0.033                 -1.852                 -2.528
 CID2   Fr= 1--       0.039                -29.362                -10.642
 Raman3 Fr= 1--       1.678                  0.126                  0.475
 ROA3   Fr= 1--      -0.882                 -7.547                -12.540
 CID3   Fr= 1--      -0.526                -59.814                -26.393
 RC180  Fr= 1--       0.708                  0.462                 -0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03  -0.04    -0.05  -0.11   0.18     0.05   0.11  -0.15
     2   6    -0.00   0.01   0.09     0.02  -0.05   0.04    -0.01  -0.12  -0.03
     3   6    -0.01   0.01   0.06    -0.04  -0.01   0.02    -0.10  -0.07   0.01
     4   8    -0.06  -0.04  -0.37    -0.03   0.04   0.05    -0.10   0.08  -0.02
     5   8     0.01   0.01  -0.23     0.10   0.15  -0.14     0.26   0.17   0.09
     6   7     0.00  -0.01   0.16     0.02   0.00  -0.13     0.07  -0.09   0.09
     7   8     0.01   0.05   0.37    -0.06  -0.03   0.01    -0.22  -0.13  -0.02
     8   1    -0.09   0.06   0.07     0.17  -0.10   0.06    -0.15  -0.11  -0.05
     9   1     0.03  -0.01  -0.01    -0.13   0.01   0.54    -0.11   0.14  -0.38
    10   1     0.17  -0.13  -0.03    -0.11  -0.52   0.14     0.11   0.34  -0.12
    11   1    -0.09  -0.05  -0.42     0.00   0.04  -0.02     0.02   0.11   0.02
    12   1    -0.19  -0.24   0.26    -0.06   0.09  -0.14     0.13  -0.22   0.13
    13   1     0.21   0.12   0.38     0.09  -0.06  -0.19     0.13  -0.03   0.19
    14   1     0.08  -0.01  -0.06     0.28   0.04  -0.23     0.43   0.08   0.18
                      4                      5                      6
                      A                      A                      A
 Frequencies --    296.7783               332.5034               354.5344
 Red. masses --      1.3119                 3.7641                 2.5452
 Frc consts  --      0.0681                 0.2452                 0.1885
 IR Inten    --     15.4370                18.6141                14.7368
 RamAct Fr= 1--      0.3856                 0.4265                 0.8271
  Dep-P Fr= 1--      0.7088                 0.3729                 0.3296
  Dep-U Fr= 1--      0.8296                 0.5433                 0.4958
 Alpha2 Fr= 1--      0.0003                 0.0035                 0.0077
 Beta2  Fr= 1--      0.0533                 0.0386                 0.0683
 AlphaG Fr= 1--      0.0014                 0.0042                 0.0089
 Gamma2 Fr= 1--     -0.0712                 0.0161                -0.0736
 Delta2 Fr= 1--      0.0128                 0.0027                -0.0476
 Raman1 Fr= 1--       1.542                  1.706                  3.308
 ROA1   Fr= 1--      -6.427                  1.630                 -8.586
 CID1   Fr= 1--      -4.167                  0.956                 -2.595
 Raman2 Fr= 1--       0.640                  0.463                  0.820
 ROA2   Fr= 1--      -1.811                  0.364                 -1.385
 CID2   Fr= 1--      -2.831                  0.786                 -1.689
 Raman3 Fr= 1--       1.280                  0.927                  1.640
 ROA3   Fr= 1--      -6.427                  1.630                 -8.586
 CID3   Fr= 1--      -5.022                  1.759                 -5.235
 RC180  Fr= 1--       0.659                  0.087                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02     0.08   0.08   0.05     0.11   0.09   0.03
     2   6    -0.01   0.01  -0.08     0.09  -0.01   0.06     0.02   0.01   0.19
     3   6    -0.00   0.03  -0.04     0.08  -0.02   0.01    -0.02  -0.01   0.11
     4   8     0.00   0.00   0.07     0.13   0.23  -0.01    -0.05  -0.11  -0.00
     5   8     0.03  -0.01   0.03    -0.08  -0.01  -0.05    -0.03  -0.01  -0.04
     6   7    -0.01  -0.01  -0.03    -0.20  -0.18  -0.04     0.03   0.10  -0.12
     7   8     0.02   0.05   0.01    -0.07  -0.11  -0.00    -0.04  -0.04  -0.10
     8   1    -0.01   0.05  -0.08     0.16   0.02   0.07     0.03  -0.15   0.19
     9   1    -0.02  -0.03   0.06     0.13   0.04  -0.02     0.09   0.04  -0.23
    10   1    -0.12  -0.08  -0.03     0.17   0.11   0.06     0.35   0.26   0.07
    11   1    -0.08  -0.03  -0.15     0.37   0.28  -0.13    -0.19  -0.16  -0.15
    12   1    -0.42  -0.48   0.18    -0.56  -0.28   0.05    -0.42  -0.01  -0.01
    13   1     0.48   0.24   0.43    -0.18  -0.06   0.12     0.52   0.12   0.05
    14   1     0.05  -0.02   0.00    -0.16   0.04  -0.01    -0.10   0.04   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    419.3471               548.9147               587.2677
 Red. masses --      4.7392                 4.5254                 1.7062
 Frc consts  --      0.4910                 0.8034                 0.3467
 IR Inten    --      3.5656                 4.9516                70.1023
 RamAct Fr= 1--      2.9777                 4.2642                 2.6160
  Dep-P Fr= 1--      0.4797                 0.0904                 0.7137
  Dep-U Fr= 1--      0.6484                 0.1659                 0.8330
 Alpha2 Fr= 1--      0.0161                 0.0764                 0.0016
 Beta2  Fr= 1--      0.3218                 0.1179                 0.3632
 AlphaG Fr= 1--      0.0085                -0.0226                 0.0011
 Gamma2 Fr= 1--      0.0628                 0.5309                -0.3629
 Delta2 Fr= 1--     -0.0702                 0.1219                -0.2977
 Raman1 Fr= 1--      11.911                 17.057                 10.464
 ROA1   Fr= 1--       3.783                 54.867                -44.361
 CID1   Fr= 1--       0.318                  3.217                 -4.239
 Raman2 Fr= 1--       3.861                  1.415                  4.358
 ROA2   Fr= 1--       2.069                 11.767                 -6.328
 CID2   Fr= 1--       0.536                  8.317                 -1.452
 Raman3 Fr= 1--       7.722                  2.830                  8.716
 ROA3   Fr= 1--       3.783                 54.867                -44.361
 CID3   Fr= 1--       0.490                 19.391                 -5.090
 RC180  Fr= 1--       0.297                 -0.668                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.12  -0.03    -0.11  -0.03  -0.02    -0.08  -0.06  -0.04
     2   6    -0.04   0.03   0.08    -0.07  -0.23   0.11    -0.09  -0.01   0.05
     3   6    -0.07   0.11   0.03    -0.06   0.03   0.16     0.04  -0.04   0.05
     4   8    -0.11   0.00   0.00    -0.07   0.15  -0.06     0.06   0.06  -0.02
     5   8     0.26  -0.14   0.03    -0.06   0.04   0.01     0.01  -0.01  -0.03
     6   7    -0.25  -0.05  -0.03     0.10  -0.17  -0.02    -0.04   0.11   0.00
     7   8     0.05   0.18  -0.05     0.22   0.15  -0.10     0.05  -0.05  -0.03
     8   1    -0.08   0.02   0.07    -0.14  -0.45   0.10    -0.17  -0.03   0.03
     9   1     0.18  -0.14  -0.08    -0.27   0.02  -0.23    -0.08  -0.06  -0.04
    10   1     0.25  -0.10  -0.02     0.02   0.14   0.01    -0.04  -0.07  -0.04
    11   1    -0.14   0.00   0.03     0.16   0.22  -0.00     0.14   0.08  -0.06
    12   1    -0.34   0.15  -0.08     0.13  -0.16  -0.03    -0.08   0.13   0.00
    13   1    -0.53  -0.10  -0.17     0.28  -0.22  -0.03     0.13   0.06  -0.01
    14   1     0.27  -0.14   0.02    -0.15   0.06  -0.28     0.43  -0.17   0.78
                     10                     11                     12
                      A                      A                      A
 Frequencies --    608.3009               742.7511               809.9999
 Red. masses --      1.8472                 4.6381                 3.3986
 Frc consts  --      0.4027                 1.5076                 1.3138
 IR Inten    --     55.4367                 7.3692                11.9337
 RamAct Fr= 1--      1.2228                 2.1284                 5.8132
  Dep-P Fr= 1--      0.5870                 0.0564                 0.0649
  Dep-U Fr= 1--      0.7398                 0.1069                 0.1220
 Alpha2 Fr= 1--      0.0037                 0.0414                 0.1108
 Beta2  Fr= 1--      0.1508                 0.0379                 0.1182
 AlphaG Fr= 1--     -0.0066                -0.0028                -0.0691
 Gamma2 Fr= 1--      0.1780                -0.2539                 0.0832
 Delta2 Fr= 1--      0.3410                 0.0749                 0.0923
 Raman1 Fr= 1--       4.891                  8.513                 23.253
 ROA1   Fr= 1--      27.997                -21.981                 10.939
 CID1   Fr= 1--       5.724                 -2.582                  0.470
 Raman2 Fr= 1--       1.809                  0.455                  1.418
 ROA2   Fr= 1--       1.544                 -6.693                  1.258
 CID2   Fr= 1--       0.853                -14.714                  0.887
 Raman3 Fr= 1--       3.618                  0.910                  2.836
 ROA3   Fr= 1--      27.997                -21.981                 10.939
 CID3   Fr= 1--       7.737                -24.160                  3.857
 RC180  Fr= 1--       0.480                 -0.786                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04   0.06    -0.05  -0.01  -0.07    -0.10  -0.08  -0.01
     2   6     0.08  -0.02  -0.02     0.05   0.04  -0.08    -0.07  -0.10   0.15
     3   6    -0.03   0.05  -0.08     0.13   0.22   0.36     0.06   0.14  -0.18
     4   8    -0.06  -0.04   0.03     0.13  -0.10  -0.08     0.21  -0.05   0.02
     5   8    -0.08   0.02  -0.06    -0.01   0.01   0.01     0.02   0.01   0.00
     6   7     0.06  -0.12  -0.00     0.01  -0.10  -0.01    -0.02  -0.03   0.02
     7   8    -0.01   0.08  -0.01    -0.18   0.05  -0.10    -0.14   0.10   0.04
     8   1     0.24   0.01   0.01    -0.28  -0.30  -0.13     0.11   0.03   0.17
     9   1     0.04   0.03  -0.00     0.08   0.01   0.33    -0.33  -0.07  -0.46
    10   1     0.12   0.06   0.07    -0.37  -0.26  -0.12     0.22   0.24   0.05
    11   1    -0.13  -0.05   0.04    -0.21  -0.17   0.08    -0.19  -0.16  -0.16
    12   1     0.07  -0.12  -0.01     0.10  -0.19   0.00     0.07   0.18  -0.06
    13   1    -0.11  -0.09  -0.00    -0.14  -0.01   0.07     0.28  -0.22  -0.15
    14   1     0.24  -0.07   0.85     0.07  -0.03   0.16     0.10  -0.05  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    847.2862               882.8782               996.1278
 Red. masses --      1.2732                 1.2175                 1.4783
 Frc consts  --      0.5385                 0.5591                 0.8642
 IR Inten    --    128.2856                81.4295                14.4389
 RamAct Fr= 1--      0.3429                 1.1235                 2.2230
  Dep-P Fr= 1--      0.6666                 0.4857                 0.2649
  Dep-U Fr= 1--      0.7999                 0.6538                 0.4188
 Alpha2 Fr= 1--      0.0005                 0.0059                 0.0253
 Beta2  Fr= 1--      0.0457                 0.1224                 0.1552
 AlphaG Fr= 1--     -0.0131                 0.0189                -0.0168
 Gamma2 Fr= 1--     -0.0797                -0.6906                -0.4471
 Delta2 Fr= 1--     -0.0774                -0.2788                -0.1609
 Raman1 Fr= 1--       1.372                  4.494                  8.892
 ROA1   Fr= 1--     -10.133                -75.218                -48.069
 CID1   Fr= 1--      -7.387                -16.737                 -5.406
 Raman2 Fr= 1--       0.549                  1.469                  1.862
 ROA2   Fr= 1--      -1.295                -14.343                 -9.443
 CID2   Fr= 1--      -2.360                 -9.762                 -5.071
 Raman3 Fr= 1--       1.097                  2.938                  3.724
 ROA3   Fr= 1--     -10.133                -75.218                -48.069
 CID3   Fr= 1--      -9.235                -25.598                -12.907
 RC180  Fr= 1--       0.600                  0.308                 -0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02   0.03    -0.05  -0.03  -0.02    -0.06  -0.07   0.09
     2   6    -0.00  -0.04  -0.03     0.00   0.03   0.04     0.06  -0.01  -0.09
     3   6     0.00   0.01  -0.01    -0.00   0.00  -0.02     0.01   0.00   0.08
     4   8     0.01  -0.01  -0.04     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     5   8    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.01  -0.02
     6   7    -0.11   0.02  -0.02     0.09  -0.00  -0.03    -0.04   0.06   0.00
     7   8    -0.01   0.01   0.01    -0.01   0.00   0.02     0.01  -0.01  -0.02
     8   1     0.03  -0.09  -0.02    -0.00   0.04   0.04     0.45  -0.08  -0.02
     9   1     0.07   0.01   0.04    -0.09  -0.02  -0.10    -0.15  -0.14  -0.44
    10   1     0.05  -0.01   0.03     0.01   0.05  -0.01     0.24   0.35   0.15
    11   1     0.05   0.06   0.71     0.13   0.07   0.75     0.01  -0.00  -0.05
    12   1     0.42  -0.05  -0.06    -0.52  -0.07   0.07     0.17  -0.18   0.05
    13   1     0.50   0.03   0.14    -0.28   0.08  -0.01    -0.28   0.26   0.18
    14   1    -0.03   0.02   0.03     0.06  -0.03  -0.04     0.19  -0.11  -0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1057.1355              1089.4992              1116.0638
 Red. masses --      2.6144                 5.9180                 2.6208
 Frc consts  --      1.7214                 4.1388                 1.9233
 IR Inten    --     65.2682                96.9360                 6.1435
 RamAct Fr= 1--      1.7768                 2.5064                 1.7127
  Dep-P Fr= 1--      0.6542                 0.6158                 0.7387
  Dep-U Fr= 1--      0.7910                 0.7622                 0.8497
 Alpha2 Fr= 1--      0.0030                 0.0062                 0.0003
 Beta2  Fr= 1--      0.2342                 0.3184                 0.2426
 AlphaG Fr= 1--      0.0052                -0.0078                 0.0011
 Gamma2 Fr= 1--      0.7001                -0.2550                 0.0267
 Delta2 Fr= 1--      0.2175                -0.0712                -0.6910
 Raman1 Fr= 1--       7.107                 10.026                  6.851
 ROA1   Fr= 1--      74.170                -26.758                -19.552
 CID1   Fr= 1--      10.436                 -2.669                 -2.854
 Raman2 Fr= 1--       2.811                  3.821                  2.911
 ROA2   Fr= 1--      15.062                 -5.551                  6.168
 CID2   Fr= 1--       5.359                 -1.453                  2.119
 Raman3 Fr= 1--       5.621                  7.642                  5.821
 ROA3   Fr= 1--      74.170                -26.758                -19.552
 CID3   Fr= 1--      13.194                 -3.502                 -3.359
 RC180  Fr= 1--       0.582                  0.524                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07  -0.13    -0.30   0.33   0.13    -0.05   0.06  -0.11
     2   6     0.21   0.14   0.08    -0.06   0.10   0.03     0.22  -0.21   0.03
     3   6     0.07   0.00   0.03     0.02  -0.01   0.02    -0.03   0.00  -0.03
     4   8    -0.12   0.01   0.01    -0.01   0.01  -0.00     0.00  -0.02   0.01
     5   8    -0.02   0.03   0.03     0.23  -0.28  -0.14     0.01  -0.03   0.00
     6   7    -0.06  -0.07   0.01     0.04  -0.08  -0.02    -0.07   0.13   0.06
     7   8     0.03  -0.04  -0.00     0.01  -0.01  -0.00    -0.01   0.04  -0.00
     8   1     0.28   0.46   0.10     0.32   0.15   0.09     0.37  -0.35   0.05
     9   1     0.02  -0.14  -0.12    -0.37   0.35   0.10    -0.31   0.26   0.20
    10   1    -0.19   0.03  -0.13    -0.18   0.17   0.10    -0.20  -0.30  -0.16
    11   1    -0.10   0.01   0.07    -0.04  -0.00   0.02     0.03  -0.01  -0.02
    12   1     0.05   0.26  -0.10     0.21  -0.12  -0.03    -0.24   0.15   0.08
    13   1     0.46  -0.25  -0.10     0.10  -0.06   0.02    -0.17   0.15   0.04
    14   1     0.24  -0.13  -0.12    -0.19  -0.03   0.13    -0.25   0.13   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1187.2956              1224.4076              1228.1261
 Red. masses --      1.6001                 1.2223                 2.5571
 Frc consts  --      1.3289                 1.0797                 2.2724
 IR Inten    --      5.3990                23.7611                 6.3459
 RamAct Fr= 1--      2.5216                 1.5267                 7.0310
  Dep-P Fr= 1--      0.2655                 0.6228                 0.3495
  Dep-U Fr= 1--      0.4196                 0.7675                 0.5180
 Alpha2 Fr= 1--      0.0286                 0.0035                 0.0618
 Beta2  Fr= 1--      0.1764                 0.1953                 0.6070
 AlphaG Fr= 1--     -0.0090                 0.0055                -0.0029
 Gamma2 Fr= 1--      0.6225                -0.0399                -1.4321
 Delta2 Fr= 1--      0.1928                 0.8075                -0.8799
 Raman1 Fr= 1--      10.086                  6.107                 28.124
 ROA1   Fr= 1--      65.928                 22.014               -165.644
 CID1   Fr= 1--       6.536                  3.605                 -5.890
 Raman2 Fr= 1--       2.116                  2.344                  7.284
 ROA2   Fr= 1--      13.397                 -7.416                -27.332
 CID2   Fr= 1--       6.330                 -3.165                 -3.752
 Raman3 Fr= 1--       4.232                  4.687                 14.568
 ROA3   Fr= 1--      65.928                 22.014               -165.644
 CID3   Fr= 1--      15.577                  4.697                -11.370
 RC180  Fr= 1--      -0.161                  0.535                  0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.11     0.04  -0.04  -0.01     0.04  -0.01   0.01
     2   6    -0.05   0.11   0.12    -0.04   0.00  -0.07    -0.07  -0.04  -0.02
     3   6    -0.03  -0.02  -0.03    -0.04  -0.00   0.08     0.27   0.10  -0.05
     4   8     0.02   0.00   0.00     0.02  -0.01  -0.01    -0.13   0.07   0.01
     5   8    -0.00   0.02   0.04     0.01   0.01   0.02    -0.00  -0.00   0.01
     6   7     0.01  -0.02  -0.07     0.01  -0.01   0.01     0.01   0.01   0.01
     7   8     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.03  -0.10   0.01
     8   1     0.34  -0.23   0.18     0.26   0.52  -0.02    -0.04  -0.19  -0.02
     9   1    -0.11   0.08   0.09    -0.44   0.20  -0.05    -0.34   0.17  -0.02
    10   1     0.23  -0.36  -0.10     0.36  -0.24   0.01     0.18  -0.16   0.02
    11   1     0.04   0.00  -0.04     0.10   0.02   0.02    -0.74  -0.10   0.14
    12   1     0.44  -0.39  -0.02    -0.11   0.12  -0.01    -0.07  -0.04   0.03
    13   1    -0.23   0.25   0.21     0.15  -0.12  -0.09    -0.13   0.00  -0.03
    14   1    -0.09   0.06   0.05    -0.29   0.18   0.16    -0.14   0.07   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1315.7429              1377.8889              1391.0595
 Red. masses --      1.3204                 1.2255                 1.3295
 Frc consts  --      1.3467                 1.3708                 1.5157
 IR Inten    --      4.1203                15.7760                12.0482
 RamAct Fr= 1--      5.4899                 1.2464                 4.5844
  Dep-P Fr= 1--      0.6387                 0.4238                 0.7440
  Dep-U Fr= 1--      0.7795                 0.5953                 0.8532
 Alpha2 Fr= 1--      0.0111                 0.0085                 0.0005
 Beta2  Fr= 1--      0.7132                 0.1237                 0.6519
 AlphaG Fr= 1--     -0.0034                 0.0244                 0.0014
 Gamma2 Fr= 1--     -0.3355                 0.2829                 1.5642
 Delta2 Fr= 1--     -0.2152                -0.1724                -0.2335
 Raman1 Fr= 1--      21.959                  4.986                 18.338
 ROA1   Fr= 1--     -39.097                 21.644                142.686
 CID1   Fr= 1--      -1.780                  4.341                  7.781
 Raman2 Fr= 1--       8.559                  1.484                  7.823
 ROA2   Fr= 1--      -6.331                  8.169                 39.408
 CID2   Fr= 1--      -0.740                  5.505                  5.038
 Raman3 Fr= 1--      17.118                  2.968                 15.645
 ROA3   Fr= 1--     -39.097                 21.644                142.686
 CID3   Fr= 1--      -2.284                  7.292                  9.120
 RC180  Fr= 1--       0.559                  0.191                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.04    -0.08   0.06  -0.00    -0.03   0.07  -0.01
     2   6    -0.13  -0.06  -0.02     0.01   0.04  -0.06     0.03  -0.12   0.04
     3   6     0.01   0.00   0.03     0.02  -0.01  -0.01     0.00  -0.01   0.01
     4   8     0.01   0.01  -0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
     5   8    -0.01   0.00   0.01    -0.02  -0.01   0.03    -0.03  -0.01   0.02
     6   7     0.02   0.01   0.03     0.00  -0.01   0.04     0.00   0.02  -0.05
     7   8     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.00   0.01  -0.00
     8   1     0.74   0.09   0.11    -0.06  -0.38  -0.08    -0.29   0.66   0.00
     9   1     0.47  -0.15   0.13     0.15  -0.04   0.05     0.12   0.01   0.10
    10   1    -0.14  -0.05  -0.07     0.69  -0.34   0.05     0.28  -0.19   0.01
    11   1    -0.17  -0.03   0.05     0.18   0.03  -0.03    -0.17  -0.03   0.01
    12   1    -0.14   0.04   0.04    -0.15   0.14   0.01     0.18  -0.18  -0.02
    13   1     0.03  -0.10  -0.09     0.14  -0.13  -0.09    -0.20   0.18   0.10
    14   1     0.17  -0.10  -0.10     0.22  -0.14  -0.12     0.28  -0.19  -0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.5294              1455.8720              1510.7726
 Red. masses --      1.6742                 1.2637                 1.0914
 Frc consts  --      1.9626                 1.5781                 1.4676
 IR Inten    --    473.2261                25.1377                 1.0670
 RamAct Fr= 1--      1.3741                 3.1341                 4.2718
  Dep-P Fr= 1--      0.2989                 0.4078                 0.7406
  Dep-U Fr= 1--      0.4602                 0.5793                 0.8510
 Alpha2 Fr= 1--      0.0141                 0.0226                 0.0007
 Beta2  Fr= 1--      0.1054                 0.3026                 0.6059
 AlphaG Fr= 1--     -0.0147                -0.0279                 0.0030
 Gamma2 Fr= 1--      0.0118                 1.1380                -0.7142
 Delta2 Fr= 1--      0.0235                -0.1051                -0.1705
 Raman1 Fr= 1--       5.496                 12.536                 17.087
 ROA1   Fr= 1--       1.890                105.884                -74.015
 CID1   Fr= 1--       0.344                  8.446                 -4.332
 Raman2 Fr= 1--       1.265                  3.631                  7.270
 ROA2   Fr= 1--       0.096                 28.153                -15.776
 CID2   Fr= 1--       0.076                  7.753                 -2.170
 Raman3 Fr= 1--       2.529                  7.262                 14.541
 ROA3   Fr= 1--       1.890                105.884                -74.015
 CID3   Fr= 1--       0.747                 14.580                 -5.090
 RC180  Fr= 1--      -0.080                  0.159                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.00     0.10   0.03  -0.00    -0.02  -0.06  -0.06
     2   6    -0.06  -0.04   0.02    -0.01   0.04  -0.01    -0.01  -0.01  -0.00
     3   6     0.16   0.04  -0.02    -0.05  -0.02   0.01     0.01   0.00  -0.00
     4   8    -0.10  -0.06   0.02     0.03   0.01  -0.01    -0.00  -0.00   0.00
     5   8    -0.02  -0.01   0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     6   7     0.00   0.02  -0.01    -0.00  -0.01   0.01    -0.00   0.01   0.00
     7   8    -0.05   0.03  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
     8   1     0.08   0.13   0.04     0.06  -0.12  -0.01     0.03   0.01   0.00
     9   1    -0.13   0.11   0.01    -0.51   0.38   0.09    -0.02   0.13   0.70
    10   1    -0.18   0.00  -0.03    -0.16   0.04  -0.04     0.30   0.63   0.06
    11   1     0.87   0.15  -0.14    -0.15  -0.03   0.03     0.02   0.00  -0.00
    12   1     0.07  -0.10   0.01    -0.03   0.05  -0.00     0.00  -0.03   0.01
    13   1    -0.01   0.02  -0.01     0.05  -0.04  -0.01    -0.01  -0.01  -0.02
    14   1     0.15  -0.11  -0.09     0.53  -0.38  -0.26    -0.03   0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1659.5540              1813.2356              2953.1900
 Red. masses --      1.0927                 9.0078                 1.0715
 Frc consts  --      1.7732                17.4492                 5.5058
 IR Inten    --     36.8573               286.1655                60.0939
 RamAct Fr= 1--      3.4321                14.7470               123.3804
  Dep-P Fr= 1--      0.6379                 0.1827                 0.1333
  Dep-U Fr= 1--      0.7790                 0.3089                 0.2352
 Alpha2 Fr= 1--      0.0070                 0.2096                 1.9893
 Beta2  Fr= 1--      0.4456                 0.7593                 4.8375
 AlphaG Fr= 1--      0.0008                 0.1205                -0.1585
 Gamma2 Fr= 1--     -0.0618                 0.8876                -3.6660
 Delta2 Fr= 1--     -0.0631                 0.2711                -0.9689
 Raman1 Fr= 1--      13.728                 58.988                493.522
 ROA1   Fr= 1--      -7.956                 93.882               -382.941
 CID1   Fr= 1--      -0.580                  1.592                 -0.776
 Raman2 Fr= 1--       5.347                  9.112                 58.050
 ROA2   Fr= 1--      -0.980                 19.134                -80.233
 CID2   Fr= 1--      -0.183                  2.100                 -1.382
 Raman3 Fr= 1--      10.694                 18.224                116.100
 ROA3   Fr= 1--      -7.956                 93.882               -382.941
 CID3   Fr= 1--      -0.744                  5.152                 -3.298
 RC180  Fr= 1--       0.558                 -0.382                 -0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.02   0.03  -0.00     0.00  -0.00  -0.08
     2   6    -0.03  -0.01  -0.01     0.01  -0.05   0.00    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00    -0.29   0.62  -0.05     0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.00  -0.07   0.01    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   7     0.02  -0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00     0.17  -0.38   0.03    -0.00  -0.00   0.00
     8   1     0.03  -0.01   0.00    -0.02   0.04  -0.00     0.02   0.00  -0.08
     9   1     0.02   0.00   0.03     0.08   0.01   0.07     0.07   0.14  -0.05
    10   1     0.01   0.01  -0.00     0.06  -0.01  -0.00    -0.12  -0.09   0.97
    11   1     0.03   0.00  -0.02     0.50   0.14  -0.09    -0.00   0.00  -0.00
    12   1    -0.04   0.68  -0.22    -0.01   0.01  -0.00    -0.00   0.01   0.00
    13   1    -0.03   0.42   0.56     0.03  -0.01   0.01    -0.00   0.00   0.00
    14   1    -0.00   0.00  -0.00     0.15  -0.14  -0.04    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3050.9044              3068.3577              3446.5464
 Red. masses --      1.0826                 1.0919                 1.0639
 Frc consts  --      5.9370                 6.0568                 7.4459
 IR Inten    --     12.5336                29.9083               244.5016
 RamAct Fr= 1--     54.6129               100.7718                75.4151
  Dep-P Fr= 1--      0.3996                 0.1881                 0.0723
  Dep-U Fr= 1--      0.5710                 0.3166                 0.1348
 Alpha2 Fr= 1--      0.4052                 1.4122                 1.4123
 Beta2  Fr= 1--      5.1971                 5.3177                 1.6945
 AlphaG Fr= 1--     -0.0487                 0.6763                -0.0812
 Gamma2 Fr= 1--     -0.7296                 6.9182                -0.2323
 Delta2 Fr= 1--     -1.7095                 3.2390                 0.9907
 Raman1 Fr= 1--     218.452                403.087                301.660
 ROA1   Fr= 1--    -124.742                767.797                  9.405
 CID1   Fr= 1--      -0.571                  1.905                  0.031
 Raman2 Fr= 1--      62.366                 63.812                 20.334
 ROA2   Fr= 1--      -3.834                140.125                -13.500
 CID2   Fr= 1--      -0.061                  2.196                 -0.664
 Raman3 Fr= 1--     124.731                127.624                 40.668
 ROA3   Fr= 1--    -124.742                767.797                  9.405
 CID3   Fr= 1--      -1.000                  6.016                  0.231
 RC180  Fr= 1--       0.142                 -0.367                 -0.730
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.04  -0.07   0.03     0.00  -0.00   0.00
     2   6     0.01   0.00  -0.08    -0.00  -0.00   0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.06   0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.14  -0.02   0.94     0.04   0.01  -0.29     0.00  -0.00  -0.00
     9   1     0.13   0.26  -0.06     0.43   0.81  -0.19    -0.00  -0.00  -0.00
    10   1    -0.01  -0.01   0.03     0.01   0.00  -0.15     0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.24   0.95  -0.07
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.03   0.10
    13   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.02   0.07  -0.06
    14   1    -0.01  -0.01   0.00    -0.02  -0.01   0.01    -0.01  -0.02   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3493.6018              3583.5728              3672.7407
 Red. masses --      1.0522                 1.0915                 1.0656
 Frc consts  --      7.5664                 8.2586                 8.4686
 IR Inten    --      0.8127                11.6996               146.3411
 RamAct Fr= 1--     85.6080                55.9842                38.2895
  Dep-P Fr= 1--      0.0919                 0.5315                 0.0805
  Dep-U Fr= 1--      0.1683                 0.6941                 0.1491
 Alpha2 Fr= 1--      1.5288                 0.2366                 0.7029
 Beta2  Fr= 1--      2.4016                 6.4766                 0.9514
 AlphaG Fr= 1--     -0.0188                 0.1621                -0.1843
 Gamma2 Fr= 1--     -1.1797                 0.6325                -0.6476
 Delta2 Fr= 1--     -0.2652                -1.6680                -1.1367
 Raman1 Fr= 1--     342.432                223.937                153.158
 ROA1   Fr= 1--    -121.735                  7.343                -98.540
 CID1   Fr= 1--      -0.356                  0.033                 -0.643
 Raman2 Fr= 1--      28.819                 77.719                 11.416
 ROA2   Fr= 1--     -26.190                 28.525                 -6.448
 CID2   Fr= 1--      -0.909                  0.367                 -0.565
 Raman3 Fr= 1--      57.637                155.439                 22.833
 ROA3   Fr= 1--    -121.735                  7.343                -98.540
 CID3   Fr= 1--      -2.112                  0.047                 -4.316
 RC180  Fr= 1--      -0.663                  0.388                 -0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     6   7    -0.01  -0.04  -0.04    -0.00  -0.04   0.07    -0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    11   1     0.03  -0.13   0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
    12   1     0.11   0.24   0.83    -0.08  -0.15  -0.44     0.00   0.00   0.00
    13   1     0.06   0.36  -0.31     0.14   0.68  -0.53    -0.00  -0.01   0.00
    14   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.47   0.87  -0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   496.33169 752.321951186.52001
           X            0.99947  -0.03182   0.00685
           Y            0.03179   0.99948   0.00481
           Z           -0.00700  -0.00459   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.17451     0.11513     0.07300
 Rotational constants (GHZ):           3.63616     2.39889     1.52104
 Zero-point vibrational energy     299081.9 (Joules/Mol)
                                   71.48228 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     99.82   238.64   337.48   427.00   478.40
          (Kelvin)            510.10   603.35   789.77   844.95   875.21
                             1068.65  1165.41  1219.06  1270.26  1433.21
                             1520.98  1567.55  1605.77  1708.25  1761.65
                             1767.00  1893.06  1982.47  2001.42  2029.44
                             2094.68  2173.66  2387.73  2608.84  4248.98
                             4389.57  4414.68  4958.81  5026.51  5155.96
                             5284.25
 
 Zero-point correction=                           0.113914 (Hartree/Particle)
 Thermal correction to Energy=                    0.121140
 Thermal correction to Enthalpy=                  0.122084
 Thermal correction to Gibbs Free Energy=         0.082444
 Sum of electronic and zero-point Energies=           -399.042285
 Sum of electronic and thermal Energies=              -399.035060
 Sum of electronic and thermal Enthalpies=            -399.034116
 Sum of electronic and thermal Free Energies=         -399.073756
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.016             26.125             83.429
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.585
 Vibrational             74.239             20.163             15.980
 Vibration     1          0.598              1.969              4.171
 Vibration     2          0.624              1.884              2.482
 Vibration     3          0.654              1.788              1.844
 Vibration     4          0.690              1.680              1.435
 Vibration     5          0.714              1.611              1.248
 Vibration     6          0.730              1.566              1.146
 Vibration     7          0.782              1.428              0.894
 Vibration     8          0.904              1.142              0.546
 Vibration     9          0.944              1.059              0.472
 Vibration    10          0.967              1.014              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.119821D-37        -37.921468        -87.317407
 Total V=0       0.298823D+15         14.475414         33.330872
 Vib (Bot)       0.118839D-50        -50.925041       -117.259240
 Vib (Bot)    1  0.297307D+01          0.473206          1.089597
 Vib (Bot)    2  0.121663D+01          0.085159          0.196086
 Vib (Bot)    3  0.838002D+00         -0.076755         -0.176734
 Vib (Bot)    4  0.641960D+00         -0.192492         -0.443229
 Vib (Bot)    5  0.561070D+00         -0.250983         -0.577910
 Vib (Bot)    6  0.518861D+00         -0.284949         -0.656120
 Vib (Bot)    7  0.418929D+00         -0.377860         -0.870054
 Vib (Bot)    8  0.286193D+00         -0.543341         -1.251088
 Vib (Bot)    9  0.257585D+00         -0.589080         -1.356406
 Vib (Bot)   10  0.243372D+00         -0.613730         -1.413165
 Vib (V=0)       0.296374D+02          1.471841          3.389038
 Vib (V=0)    1  0.351483D+01          0.545904          1.256990
 Vib (V=0)    2  0.181537D+01          0.258965          0.596288
 Vib (V=0)    3  0.147583D+01          0.169037          0.389222
 Vib (V=0)    4  0.131370D+01          0.118497          0.272850
 Vib (V=0)    5  0.125153D+01          0.097442          0.224368
 Vib (V=0)    6  0.122057D+01          0.086562          0.199315
 Vib (V=0)    7  0.115230D+01          0.061567          0.141764
 Vib (V=0)    8  0.107611D+01          0.031858          0.073356
 Vib (V=0)    9  0.106245D+01          0.026308          0.060578
 Vib (V=0)   10  0.105608D+01          0.023699          0.054568
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.238271D+06          5.377071         12.381164
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   3  33            33  2                                       1    1    1 1111 1 111  111                                    
     6   5  44            00  9                                       8    6    5 4433 3 221  100 9   888  7   65 5   4 332 2  1     
     7   8  94            65  5                                       1    6    1 5197 1 228  185 9   841  4   08 4   1 539 3  6  6  
     3   4  47            81  3                                       3    0    1 6118 6 847  697 6   370  3   87 9   9 537 5  6  9  
 
     X   X  XX            XX  X                                       X    X    X XXXX X XXX  XXX X   XXX  X   XX X   X XXX X  X  X  
     X       X                X                                       X    X       X           XX     XX       XX                    
     X       X                X                                       X            X           XX     XX        X                    
     X       X                                                        X            X           X       X                             
     X       X                                                        X            X                   X                             
     X       X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
                                                                      X            X                                                 
                                                                      X            X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047074   -0.000055048   -0.000003350
      2        6          -0.000081133   -0.000015703    0.000054424
      3        6           0.000043205    0.000102134   -0.000058742
      4        8          -0.000035846    0.000040468    0.000017133
      5        8           0.000014835    0.000049545    0.000020695
      6        7           0.000012968   -0.000034489   -0.000013704
      7        8          -0.000013682   -0.000048134    0.000012415
      8        1          -0.000002391    0.000010917   -0.000009871
      9        1           0.000002451   -0.000002112   -0.000010652
     10        1           0.000016201    0.000007962    0.000004619
     11        1           0.000003030   -0.000058977   -0.000004660
     12        1           0.000008135   -0.000005380   -0.000009774
     13        1           0.000001139   -0.000002149   -0.000003417
     14        1          -0.000015984    0.000010967    0.000004884
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000102134 RMS     0.000033141
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.644453D+02 -0.277909D+01 -0.360914D+00
      2  -0.277909D+01  0.640162D+02  0.328424D+00
      3  -0.360914D+00  0.328424D+00  0.476472D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.132631D+01 -0.221313D+01 -0.130187D+02
      2   0.730969D+00  0.231268D+01  0.813304D+01
      3   0.970488D+01  0.395044D+01 -0.125380D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.111925D+01 -0.184540D+02 -0.343206D+01
      2   0.332454D+01  0.272616D+02 -0.755530D+00
      3  -0.220529D+01 -0.880768D+01  0.418759D+01
      4   0.168775D+02  0.683658D+01  0.517424D+01
      5   0.307257D+01  0.396542D+01  0.153150D+02
      6   0.165046D+01  0.179153D+01  0.302489D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.299866D+01  0.836675D+00  0.171088D+01 -0.440439D+00 -0.464860D+01
      2   0.836675D+00 -0.236903D+01  0.567220D+00 -0.464860D+01 -0.385959D+01
      3   0.171088D+01  0.567220D+00  0.200358D+01 -0.172663D+00  0.797115D+00
                 6             7             8             9            10 
      1  -0.172663D+00  0.256211D+01  0.852919D-01  0.121179D+01 -0.366294D+01
      2   0.797115D+00  0.852919D-01  0.106916D+01 -0.951253D+00 -0.387631D+00
      3  -0.304881D+00  0.121179D+01 -0.951253D+00 -0.813631D+01 -0.122000D+01
                11            12            13            14            15 
      1  -0.387631D+00 -0.122000D+01 -0.105149D+01  0.315973D+01  0.211135D+00
      2   0.241092D+01  0.550333D-01  0.315973D+01  0.106033D+01 -0.117454D+00
      3   0.550333D-01 -0.127484D+01  0.211135D+00 -0.117454D+00  0.392532D+00
                16            17            18            19            20 
      1  -0.223533D+01  0.232307D+00 -0.120938D+01  0.753121D+00  0.204001D+00
      2   0.232307D+00  0.759599D-02 -0.365031D+00  0.204001D+00 -0.448869D+01
      3  -0.120938D+01 -0.365031D+00  0.643819D+01  0.417424D-01  0.114210D-01
                21            22            23            24            25 
      1   0.417424D-01  0.295078D+01 -0.320707D+01 -0.935663D-01 -0.519809D+00
      2   0.114210D-01 -0.320707D+01  0.343540D+01 -0.438203D+00 -0.191589D+00
      3  -0.677136D+00 -0.935663D-01 -0.438203D+00  0.341526D+00 -0.434248D+00
                26            27            28            29            30 
      1  -0.191589D+00 -0.434248D+00 -0.728904D+01 -0.931289D+00  0.260951D+00
      2   0.172250D+00  0.147519D+00 -0.931289D+00  0.346185D+00 -0.470459D-01
      3   0.147519D+00 -0.635134D+00  0.260951D+00 -0.470459D-01 -0.111623D+01
                31            32            33            34            35 
      1  -0.343598D+01 -0.201851D+01  0.118320D+00  0.106221D+01  0.385096D+00
      2  -0.201851D+01 -0.553588D+01  0.288720D+00  0.385096D+00  0.452347D+00
      3   0.118320D+00  0.288720D+00 -0.243054D+00 -0.206828D+01 -0.828882D-01
                36            37            38            39            40 
      1  -0.206828D+01  0.756885D+01 -0.214605D+01 -0.107167D+01  0.742264D+00
      2  -0.828882D-01 -0.214605D+01  0.284363D+01 -0.571140D-01  0.423075D+01
      3   0.510048D+00 -0.107167D+01 -0.571140D-01  0.466487D+00 -0.104689D+00
                41            42            43            44            45 
      1   0.423075D+01 -0.104689D+00 -0.172815D+01  0.533938D+00  0.128541D+01
      2   0.850554D+00 -0.194094D+00  0.533938D+00 -0.820940D+00 -0.642965D+00
      3  -0.194094D+00  0.838830D+00  0.128541D+01 -0.642965D+00 -0.373710D+00
                46            47            48            49            50 
      1  -0.229390D+01  0.245106D+01  0.569545D+00  0.194233D+01 -0.273110D+01
      2   0.245106D+01 -0.327345D+01  0.266239D+00 -0.273110D+01 -0.211908D+01
      3   0.569545D+00  0.266239D+00 -0.868577D+00  0.287978D+00  0.850271D+00
                51            52            53            54            55 
      1   0.287978D+00  0.420800D+00  0.303672D+00 -0.776813D+00  0.431981D+01
      2   0.850271D+00  0.303672D+00  0.105546D+01 -0.238979D+01 -0.251613D+01
      3  -0.220158D+01 -0.776813D+00 -0.238979D+01 -0.332612D+01  0.125022D+00
                56            57            58            59            60 
      1  -0.251613D+01  0.125022D+00 -0.480320D+01  0.237481D+01  0.698123D-02
      2   0.255673D+01 -0.141114D+00  0.237481D+01 -0.120323D+02  0.371012D+00
      3  -0.141114D+00  0.124209D+01  0.698123D-02  0.371012D+00 -0.210409D+01
                61            62            63            64            65 
      1   0.424188D+00 -0.166521D+00  0.101660D+01  0.134738D+01  0.315254D+00
      2  -0.166521D+00  0.490991D+00 -0.287676D+01  0.315254D+00 -0.147509D+00
      3   0.101660D+01 -0.287676D+01  0.679195D+00 -0.102876D+01  0.348337D-01
                66            67            68            69            70 
      1  -0.102876D+01  0.218632D+00 -0.525405D+00 -0.223243D-01 -0.138984D+01
      2   0.348337D-01 -0.525405D+00  0.286914D+00 -0.991181D+00 -0.450410D-01
      3   0.117124D+01 -0.223243D-01 -0.991181D+00  0.137279D+00  0.648284D+00
                71            72            73            74            75 
      1  -0.450410D-01  0.648284D+00  0.281937D+01  0.198629D+01 -0.505889D+00
      2  -0.180304D+01  0.706335D+00  0.198629D+01  0.235668D+01 -0.139061D+00
      3   0.706335D+00 -0.810799D+01 -0.505889D+00 -0.139061D+00  0.545067D+00
                76            77            78            79            80 
      1   0.306289D+01  0.318085D+01  0.184621D-01 -0.108112D+01 -0.355506D+00
      2   0.318085D+01  0.662697D+01 -0.464117D+00 -0.355506D+00 -0.119987D+01
      3   0.184621D-01 -0.464117D+00  0.886912D+00  0.582836D+00  0.984866D+00
                81            82            83            84            85 
      1   0.582836D+00 -0.716027D+00  0.181246D+00  0.106770D+01 -0.320472D+00
      2   0.984866D+00  0.181246D+00  0.681774D-01 -0.323635D+00  0.448696D+00
      3   0.235568D+00  0.106770D+01 -0.323635D+00 -0.119736D+01 -0.661012D-01
                86            87            88            89            90 
      1   0.448696D+00 -0.661012D-01  0.171309D+01 -0.286298D+00  0.164742D+00
      2   0.340522D+00  0.104270D+01 -0.286298D+00  0.141809D+01  0.923954D+00
      3   0.104270D+01 -0.304629D+00  0.164742D+00  0.923954D+00  0.915200D+01
                91            92            93            94            95 
      1  -0.291936D+01  0.844864D+00 -0.100607D+00  0.355423D+01  0.248285D+00
      2   0.844864D+00 -0.719604D+00  0.625528D-02  0.248285D+00  0.568079D+01
      3  -0.100607D+00  0.625528D-02 -0.806066D+00 -0.215765D+00 -0.213489D+00
                96            97            98            99           100 
      1  -0.215765D+00 -0.252782D+00 -0.978718D-01 -0.796144D+00 -0.399408D+00
      2  -0.213489D+00 -0.978718D-01 -0.419580D+00  0.108571D+00 -0.442596D-01
      3   0.451322D+00 -0.796144D+00  0.108571D+00 -0.838010D-02  0.240473D+00
               101           102           103           104           105 
      1  -0.442596D-01  0.240473D+00  0.128749D+00 -0.110770D+00 -0.235819D-01
      2   0.376077D+00  0.207555D+00 -0.110770D+00  0.214171D+01  0.140666D+01
      3   0.207555D+00  0.344266D+00 -0.235819D-01  0.140666D+01  0.146775D+01
               106           107           108           109           110 
      1   0.138057D+01 -0.320987D+00 -0.863579D-01 -0.335116D+00  0.323438D+00
      2  -0.320987D+00  0.299653D+01  0.271285D+01  0.323438D+00  0.817591D+00
      3  -0.863579D-01  0.271285D+01  0.569713D+01 -0.273579D+00 -0.296381D+00
               111           112           113           114           115 
      1  -0.273579D+00  0.856472D+00  0.101652D+00 -0.890317D-01 -0.889205D+00
      2  -0.296381D+00  0.101652D+00  0.754507D+01 -0.215590D+01 -0.203626D+00
      3   0.343831D+00 -0.890317D-01 -0.215590D+01  0.182553D+01  0.890873D-01
               116           117           118           119           120 
      1  -0.203626D+00  0.890873D-01 -0.219141D+01 -0.111747D+01  0.184196D+00
      2  -0.379257D+01  0.220751D+01 -0.111747D+01 -0.777707D+00 -0.144206D+00
      3   0.220751D+01 -0.191443D+01  0.184196D+00 -0.144206D+00 -0.176339D+00
               121           122           123           124           125 
      1  -0.340477D+01 -0.503315D+00  0.144848D+00  0.533275D+00  0.127136D+00
      2  -0.503315D+00 -0.442138D+01 -0.182035D+00  0.127136D+00  0.373581D+00
      3   0.144848D+00 -0.182035D+00 -0.118345D+01  0.372482D+00 -0.482912D+00
               126 
      1   0.372482D+00
      2  -0.482912D+00
      3  -0.210054D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.272317D+01 -0.257798D+01 -0.323613D+01 -0.228829D+01 -0.303246D+01
      2   0.383001D+01  0.130721D+01  0.328054D+01 -0.529384D-01  0.248477D+01
      3   0.460881D+01  0.427226D+01  0.981948D+00  0.102466D+02  0.514091D+00
                 6             7             8             9            10 
      1   0.302694D+00 -0.152509D+01  0.224580D+01  0.784615D+01  0.180049D+01
      2   0.112282D+01 -0.176950D+01 -0.118910D+01 -0.944862D+01 -0.894389D+00
      3  -0.164782D+01  0.190839D+01 -0.122762D+01  0.263698D+01 -0.265729D+01
                11            12            13            14            15 
      1  -0.608675D+00 -0.397069D+00 -0.252073D+01  0.671851D+00 -0.274808D+01
      2  -0.971043D+00  0.129381D+01  0.183462D+01  0.860564D+00  0.272031D+01
      3  -0.463188D+01 -0.117073D+01  0.985230D+00 -0.193053D+01  0.590647D+00
                16            17            18            19            20 
      1   0.820757D+00  0.363623D+01 -0.130619D+01  0.109257D+00  0.152826D+01
      2  -0.478145D+01  0.130752D+01  0.687720D+00 -0.565280D+00 -0.194402D+01
      3  -0.340057D+01  0.389177D+00 -0.716821D+00  0.144231D+01 -0.556726D+01
                21            22            23            24            25 
      1  -0.192065D+01  0.216919D+01  0.262925D+01  0.820702D+01  0.284246D+01
      2  -0.637655D+01 -0.247090D+01  0.543300D+00  0.498097D+00 -0.131421D+02
      3   0.145444D+01 -0.641200D+01  0.230692D+01 -0.104774D+01  0.377124D+01
                26            27            28            29            30 
      1   0.126387D+02 -0.245120D+01  0.509683D+00 -0.787016D-01 -0.219051D+00
      2  -0.436387D+01  0.194265D+01 -0.129109D+01 -0.314207D+00  0.832847D+01
      3  -0.774095D+00  0.101401D+01  0.296176D+01 -0.456012D+01 -0.295989D+00
                31            32            33            34            35 
      1  -0.662581D+00 -0.111651D+01 -0.337606D+01 -0.292723D+01  0.576303D-01
      2   0.105481D+01 -0.565799D+00  0.235908D+01  0.296150D+01  0.313348D+01
      3   0.320526D+00 -0.202811D+02  0.876242D+00 -0.476830D+00  0.232392D+01
                36            37            38            39            40 
      1   0.639992D+00  0.487057D-02 -0.140035D+00  0.300446D+01  0.127434D+00
      2  -0.174789D+01 -0.227387D+01  0.122150D+01  0.589080D+01 -0.546561D-01
      3   0.121440D+01 -0.307722D+01 -0.167864D+02 -0.946631D+00 -0.116172D+02
                41            42            43            44            45 
      1  -0.137536D+01 -0.419381D+01 -0.300006D+00  0.377138D+01 -0.137400D+01
      2  -0.664268D+00 -0.602733D+00 -0.969657D-01 -0.981774D+00 -0.200345D+01
      3  -0.503069D+01  0.818268D+00  0.302490D+00  0.271091D+01  0.147253D+01
                46            47            48            49            50 
      1  -0.113377D+01  0.250975D+00  0.234944D+01  0.425442D+00 -0.465380D+01
      2  -0.110358D+01  0.159177D+01  0.637753D+01 -0.312645D-01 -0.241339D+01
      3  -0.408742D+00 -0.541414D+01  0.652255D+00  0.537430D+01 -0.836018D+01
                51            52            53            54            55 
      1   0.811420D+00  0.137572D+01  0.982975D+01  0.578394D+01 -0.234856D+00
      2   0.205528D+01 -0.134163D+01  0.383593D+01  0.402549D+01  0.377091D+00
      3   0.156552D+01  0.111740D+01  0.237705D+01 -0.504582D+01 -0.819261D+01
                56            57            58            59            60 
      1  -0.685733D+00  0.198129D+01  0.293000D+00  0.816031D+00 -0.111037D+02
      2   0.800691D+00  0.398088D+01 -0.175896D+00 -0.911234D+00 -0.122720D+01
      3   0.938174D+00 -0.561991D+00  0.172137D+02 -0.709521D+01  0.449897D+00
                61            62            63            64            65 
      1  -0.830559D+00 -0.156967D+01  0.175270D+01  0.405447D+00 -0.246891D+00
      2  -0.211043D+01  0.368465D+01 -0.478641D+00  0.118688D+01  0.232034D+00
      3  -0.250797D+01 -0.199236D+00 -0.361216D+01  0.772903D+00 -0.390711D+00
                66            67            68            69            70 
      1  -0.354815D+00  0.265748D+00 -0.332168D+00 -0.840074D-01 -0.594290D+00
      2   0.911189D+00  0.134725D-01 -0.221854D+00 -0.364313D+00 -0.225636D+01
      3  -0.749680D+00  0.148429D+01 -0.238442D+00  0.948074D-01 -0.737450D+00
                71            72            73            74            75 
      1   0.263779D+01  0.405014D+01  0.157741D+01  0.142545D+01 -0.122333D+01
      2   0.415425D+00 -0.563235D+00 -0.126000D+01 -0.794760D+00  0.196092D+01
      3   0.275330D+00  0.131819D+00  0.193061D+00 -0.340271D+01 -0.350153D+00
                76            77            78            79            80 
      1   0.103465D+01  0.300205D+01 -0.331912D+01 -0.558876D+00 -0.463705D+00
      2  -0.387456D+00 -0.133243D+01  0.224150D+01  0.164604D+00  0.134979D+01
      3   0.486134D+00 -0.818510D+01  0.100404D+01 -0.128111D+01  0.164693D+01
                81            82            83            84            85 
      1   0.314729D+00 -0.499032D+00 -0.217089D-01  0.810788D+00  0.219063D+00
      2   0.139588D-01  0.261480D+01 -0.844994D+00 -0.103814D+01 -0.133505D+00
      3  -0.885730D+00 -0.141844D+01 -0.639964D+00  0.117637D+01 -0.794018D-01
                86            87            88            89            90 
      1  -0.676029D+00  0.242791D+00 -0.192009D+00  0.351225D+01 -0.737842D+01
      2   0.133125D+01 -0.319425D+00 -0.451500D+01  0.160476D+01  0.126271D+02
      3   0.549459D-02 -0.132200D+01  0.177957D+01 -0.243846D+01 -0.175978D+01
                91            92            93            94            95 
      1   0.297950D+00  0.145913D+00  0.112288D+01  0.977783D-01  0.127743D+01
      2   0.232992D-01 -0.149458D+00  0.107411D+01 -0.245491D+00  0.358614D+00
      3  -0.251901D+00 -0.302273D+01 -0.116126D+00  0.302559D+00  0.225485D+02
                96            97            98            99           100 
      1   0.117946D+01  0.556025D+00  0.255751D+01 -0.304317D-01 -0.508781D+00
      2  -0.219561D+01 -0.223566D+00 -0.110550D+01  0.316217D+00 -0.111737D+01
      3  -0.644434D+00  0.153629D+00 -0.161718D+01 -0.393813D+00 -0.646150D+00
               101           102           103           104           105 
      1   0.198965D+00 -0.896988D+00  0.295745D+00 -0.221470D+01 -0.382460D+01
      2  -0.959162D-01 -0.493450D+00 -0.403498D-01 -0.177401D+01 -0.188884D+01
      3  -0.628559D+00  0.451775D+00  0.715096D+00  0.196642D+01  0.132274D+01
               106           107           108           109           110 
      1  -0.243462D+00 -0.364007D+01 -0.113587D+02  0.470495D-01  0.423713D+00
      2  -0.284096D+01 -0.293115D+01 -0.630080D+01  0.459924D+00  0.485736D+00
      3   0.336705D+01  0.223303D+01  0.291665D+01 -0.226006D+00  0.711567D+00
               111           112           113           114           115 
      1  -0.109205D+01 -0.896385D-02  0.360929D+01 -0.478242D+01 -0.273315D+00
      2  -0.327529D+00  0.801615D+00  0.289450D+01 -0.194261D+01 -0.126690D+01
      3  -0.775388D+00  0.395580D+01  0.805918D+01 -0.250411D+01 -0.310703D+01
               116           117           118           119           120 
      1  -0.326686D+01  0.389396D+01  0.347457D+00  0.386451D+00  0.712176D-01
      2  -0.268959D+01  0.158729D+01 -0.165958D+00 -0.359837D+00 -0.103809D+01
      3  -0.468643D+01  0.264230D+01  0.828904D+01  0.711342D+01  0.853579D-01
               121           122           123           124           125 
      1   0.732053D+00  0.123041D+01 -0.113604D+01  0.460360D+00  0.623237D-01
      2  -0.112063D+00 -0.590002D+00 -0.245636D+01 -0.100720D+01 -0.681765D+00
      3   0.925040D+01  0.143318D+02  0.264662D+00 -0.888826D+00 -0.101333D+01
               126 
      1  -0.218115D+00
      2  -0.478513D+00
      3   0.385429D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128483D+01  0.131000D+01 -0.131586D+01  0.725132D+01 -0.533827D+01
      2  -0.320850D+01 -0.530464D+01 -0.390578D+01 -0.107857D+02 -0.941984D+01
      3   0.449333D+01  0.399465D+01  0.522164D+01  0.353438D+01  0.147581D+02
      4   0.292429D+01 -0.113957D+02  0.474671D+01 -0.185252D+02 -0.184928D+02
      5   0.744496D+01  0.103692D+01  0.178064D+01 -0.234004D+01  0.228236D+01
      6   0.343332D+01  0.301040D+01  0.624082D+01 -0.656697D+00 -0.466985D+00
                 6             7             8             9            10 
      1   0.137057D+01  0.608901D+01  0.187658D+01  0.152692D+02 -0.444867D+01
      2   0.396773D+01 -0.426863D+01  0.148768D+01  0.618487D+01  0.382559D+01
      3  -0.533831D+01 -0.182037D+01 -0.336425D+01 -0.214541D+02  0.623084D+00
      4   0.180052D+01  0.824265D+00  0.418175D+01 -0.254143D+01 -0.493229D+00
      5   0.293755D+01  0.264938D+01 -0.157113D+01 -0.154745D+02 -0.228807D+01
      6  -0.349223D+01  0.220411D+01 -0.753805D+00 -0.997160D+01 -0.244263D+01
                11            12            13            14            15 
      1  -0.610507D+01 -0.115624D+01  0.231106D+01 -0.128338D+00  0.146733D+01
      2   0.106889D+02  0.112103D+00  0.194069D+01  0.499145D+00 -0.253417D+00
      3  -0.458381D+01  0.104414D+01 -0.425175D+01 -0.370807D+00 -0.121391D+01
      4  -0.243488D+01 -0.288745D+01 -0.435064D+01  0.783156D+01  0.857820D+00
      5  -0.763148D+00 -0.121692D+01  0.966357D+00  0.115561D+01  0.297705D+01
      6  -0.748512D+00 -0.119331D+01 -0.319393D-01 -0.356498D+00 -0.354938D-01
                16            17            18            19            20 
      1  -0.148259D+01 -0.632329D+00  0.579532D+01 -0.156421D+02 -0.844699D+01
      2  -0.786996D+00 -0.460041D+01  0.954532D+01  0.915150D+01  0.114926D+02
      3   0.226959D+01  0.523274D+01 -0.153406D+02  0.649058D+01 -0.304557D+01
      4  -0.431072D+01 -0.290358D+00 -0.223551D+01  0.849461D+00 -0.853203D+00
      5  -0.900609D+00 -0.114206D+01  0.538791D+01  0.130873D+01 -0.103107D+01
      6  -0.287732D+01  0.261354D-01  0.787329D+01  0.178287D+00 -0.652998D+00
                21            22            23            24            25 
      1   0.918229D+00  0.130445D+01  0.218530D+02 -0.222593D+01  0.132638D+01
      2  -0.180282D+01  0.115002D+00 -0.308772D+02 -0.389571D+00 -0.148710D+01
      3   0.884591D+00 -0.141945D+01  0.902420D+01  0.261550D+01  0.160712D+00
      4  -0.248576D+00 -0.909807D+01  0.407689D+01 -0.322277D+00  0.319857D+01
      5  -0.103260D+02 -0.381620D+00 -0.122725D+01  0.250487D+01  0.353202D+01
      6   0.446165D+01 -0.322683D+00 -0.253094D+00 -0.983472D+01 -0.192067D+00
                26            27            28            29            30 
      1  -0.457692D+01 -0.372157D+01  0.440585D+02  0.428438D+01 -0.133705D+01
      2   0.404841D+01 -0.745540D+01 -0.268885D+02 -0.228224D+01  0.150491D+01
      3   0.528505D+00  0.111770D+02 -0.171700D+02 -0.200215D+01 -0.167859D+00
      4   0.101013D+01  0.762285D+00  0.113492D+02  0.860481D+01  0.735341D+00
      5  -0.145345D+01  0.210133D+01 -0.195734D+01  0.812946D+00  0.160951D+02
      6   0.214634D+01  0.280352D+01  0.639127D+00  0.677000D+00  0.771689D+00
                31            32            33            34            35 
      1   0.115669D+02  0.463104D+01  0.429639D+00 -0.217019D+01  0.754102D+00
      2  -0.662690D+01 -0.284596D+00 -0.462292D-01  0.228502D+01  0.414614D+00
      3  -0.494004D+01 -0.434645D+01 -0.383410D+00 -0.114825D+00 -0.116872D+01
      4   0.152853D+02  0.170448D+02 -0.877446D+00 -0.526829D+00 -0.139697D+01
      5   0.342166D-01 -0.134596D+01  0.266115D+01  0.141635D+02  0.121251D+01
      6  -0.258776D+00 -0.619754D+00  0.601744D+01  0.371399D+01  0.469481D+01
                36            37            38            39            40 
      1   0.525285D+01  0.426212D+02 -0.519877D+01 -0.193641D+01 -0.267379D+01
      2  -0.768293D+01 -0.260420D+02 -0.268320D-01  0.374358D+01 -0.485788D-01
      3   0.243008D+01 -0.165792D+02  0.522560D+01 -0.180716D+01  0.272237D+01
      4   0.371786D+01 -0.112568D+02  0.155851D+02 -0.391079D+00  0.168523D+02
      5  -0.326381D+01 -0.543235D+01  0.230802D+00  0.111497D+02  0.940621D+00
      6  -0.904009D+00 -0.462329D+00 -0.864223D+00 -0.387395D+01  0.574143D-01
                41            42            43            44            45 
      1   0.105632D+02 -0.342434D+01 -0.724895D+01  0.457653D+00  0.161854D+01
      2  -0.298431D+01 -0.681859D+00  0.540977D+01  0.656955D+00 -0.768259D+01
      3  -0.757893D+01  0.410620D+01  0.183917D+01 -0.111461D+01  0.606405D+01
      4   0.237013D+00 -0.125550D+01  0.288168D+01 -0.323354D+01 -0.266473D+01
      5  -0.210025D+01 -0.148342D+01  0.121842D+02 -0.434965D+01 -0.447325D+01
      6   0.191002D+01  0.823729D+01 -0.196320D+01  0.464128D+01  0.228263D+01
                46            47            48            49            50 
      1   0.429431D+01  0.736025D+01 -0.151005D+01  0.102431D+01  0.954658D+01
      2   0.457557D+01 -0.133669D+02  0.136061D+01 -0.616617D+01 -0.887498D+01
      3  -0.886988D+01  0.600665D+01  0.149441D+00  0.514186D+01 -0.671602D+00
      4  -0.571655D+01  0.171317D+02  0.191302D+01  0.157905D+02 -0.710793D+01
      5  -0.400400D+00  0.923288D+00  0.708625D+01 -0.342027D+00 -0.262535D+01
      6   0.181644D+01  0.159887D+01 -0.524340D+01  0.831272D+00  0.710558D+01
                51            52            53            54            55 
      1  -0.168904D+01 -0.203735D+01 -0.236236D+01  0.107829D+02 -0.417144D+00
      2   0.622457D+01  0.135231D+01  0.806424D+01 -0.122732D+02  0.497784D+01
      3  -0.453553D+01  0.685047D+00 -0.570188D+01  0.149029D+01 -0.456070D+01
      4  -0.122502D+01  0.735392D+00 -0.189756D+01 -0.124893D+01 -0.680088D+01
      5   0.166131D+01  0.593150D+01  0.388110D+01  0.422159D+01  0.104576D+00
      6  -0.686811D+01 -0.301114D+01 -0.106564D+02 -0.122170D+02 -0.431069D+00
                56            57            58            59            60 
      1   0.719237D+01 -0.772806D+00  0.609832D+01 -0.387289D+02  0.806999D+00
      2  -0.105416D+02  0.449192D+00 -0.729136D+01  0.577215D+02 -0.211847D+00
      3   0.334919D+01  0.323615D+00  0.119304D+01 -0.189926D+02 -0.595153D+00
      4   0.132542D+02 -0.574927D+00  0.166837D+02  0.151115D+01  0.124807D+00
      5  -0.309548D+00  0.597904D+01 -0.364038D+00  0.607382D+00 -0.972200D+00
      6   0.559079D+00 -0.407446D+01  0.428277D+00 -0.144105D+00  0.176825D+02
                61            62            63            64            65 
      1  -0.105000D+00  0.282806D+01 -0.985012D+01  0.710955D+00  0.757762D+00
      2   0.434286D+00 -0.209685D+01  0.741737D+01 -0.416577D+01 -0.101921D+01
      3  -0.329286D+00 -0.731210D+00  0.243275D+01  0.345481D+01  0.261453D+00
      4  -0.146251D+01 -0.108238D+00  0.420538D+00  0.105217D+01  0.195325D+01
      5   0.340934D+01  0.268414D+01 -0.750913D-01 -0.134775D+01 -0.284576D+00
      6  -0.322575D+01  0.157698D+02 -0.274230D+01 -0.149823D+01 -0.423465D+00
                66            67            68            69            70 
      1   0.833810D+00  0.286208D+00 -0.318859D+01  0.329414D+00  0.358344D+00
      2   0.168767D+01  0.268798D+00  0.524297D+00 -0.142449D+01  0.232980D+01
      3  -0.252148D+01 -0.555006D+00  0.266430D+01  0.109507D+01 -0.268815D+01
      4  -0.119867D+01  0.215393D+01  0.136025D+00 -0.546243D+00 -0.125434D+01
      5   0.649250D+01 -0.114815D+00 -0.119683D+01 -0.399362D+00  0.472177D+01
      6   0.131213D+01 -0.796976D+00 -0.102780D+01  0.593759D+01  0.117603D+01
                71            72            73            74            75 
      1   0.258175D+01 -0.154674D+02  0.106073D+02  0.518652D+01 -0.143240D+01
      2  -0.334358D+00 -0.156472D+02 -0.781369D+00  0.241246D+01 -0.901444D-02
      3  -0.224739D+01  0.311146D+02 -0.982591D+01 -0.759898D+01  0.144142D+01
      4   0.361787D+00  0.952615D+00  0.149235D+02  0.154648D+02 -0.129901D+01
      5   0.730327D+00 -0.448479D+01 -0.819617D+00  0.142130D-01  0.317808D+01
      6   0.524775D+01 -0.107609D+02 -0.599349D+00 -0.151745D+00  0.185642D+01
                76            77            78            79            80 
      1   0.542161D+01 -0.291748D+01  0.453020D+00 -0.286919D+01  0.730324D+00
      2   0.451577D+01  0.200656D+02 -0.190683D+01  0.795171D+00 -0.300914D+01
      3  -0.993738D+01 -0.171482D+02  0.145381D+01  0.207402D+01  0.227882D+01
      4   0.193256D+02  0.299736D+02 -0.187104D+01 -0.327490D+01 -0.450358D+01
      5   0.580004D+00 -0.762356D+00  0.383901D+01  0.365386D+01  0.411583D+01
      6   0.905168D+00  0.231845D+00  0.452922D+01  0.238288D+01  0.459500D+01
                81            82            83            84            85 
      1  -0.135351D+01 -0.195149D+01  0.126534D+01  0.595757D+01 -0.145074D+01
      2   0.366682D+00 -0.139887D+01  0.361383D+00 -0.147655D+01  0.181071D+01
      3   0.986830D+00  0.335036D+01 -0.162673D+01 -0.448102D+01 -0.359969D+00
      4   0.475584D+01  0.126088D-01  0.252938D+01  0.203436D+00  0.295675D+01
      5  -0.293150D+00  0.199290D+01 -0.180755D+00  0.373780D+01 -0.194239D+00
      6  -0.117881D+01  0.767224D+00 -0.151997D+01 -0.220875D+01  0.535290D-01
                86            87            88            89            90 
      1  -0.171579D+01 -0.119098D+01  0.519043D+01 -0.381914D+01 -0.199142D+02
      2   0.652798D-01  0.182251D+01 -0.287445D+01  0.168973D+01 -0.150074D+02
      3   0.165051D+01 -0.631532D+00 -0.231598D+01  0.212941D+01  0.349217D+02
      4   0.213135D+01  0.239143D+01  0.130793D+01  0.353284D+01  0.384997D+01
      5   0.226275D+01 -0.101319D+01  0.591202D+01  0.222481D+01  0.216358D+02
      6   0.116889D+01  0.547083D+01  0.199191D+00  0.608316D+01  0.109711D+02
                91            92            93            94            95 
      1   0.116859D+02 -0.446402D+01  0.204276D+00 -0.157652D+02 -0.107183D+01
      2  -0.653763D+01  0.224084D+01 -0.122454D+00  0.105950D+02  0.124671D+01
      3  -0.514824D+01  0.222318D+01 -0.818217D-01  0.517021D+01 -0.174878D+00
      4  -0.769733D+01  0.336660D+01 -0.324548D+00 -0.115391D+01 -0.160175D+02
      5   0.172751D+00 -0.240558D-01  0.246587D+01  0.516973D+00  0.101246D+01
      6  -0.156758D+00 -0.622652D-01 -0.166290D+01 -0.229484D+00  0.749342D+00
                96            97            98            99           100 
      1   0.361279D+00  0.105595D+01  0.338817D+00  0.178521D+01  0.162271D+01
      2  -0.445752D+00 -0.735909D+00 -0.461284D+00 -0.246260D+01 -0.178588D+01
      3   0.844735D-01 -0.320040D+00  0.122467D+00  0.677397D+00  0.163168D+00
      4   0.309229D+00  0.304438D+00  0.944692D+00 -0.154575D+01 -0.143317D+01
      5  -0.331525D+01  0.422001D+01 -0.939077D+00  0.357434D+00  0.304026D+00
      6  -0.203898D+01 -0.888113D+00  0.688965D+00  0.115035D+00  0.114752D+01
               101           102           103           104           105 
      1  -0.167986D+01 -0.104150D+01 -0.315403D+00 -0.769282D+01 -0.456270D+01
      2   0.187318D+01  0.509742D+00  0.223107D-01  0.104655D+02  0.577516D+01
      3  -0.193319D+00  0.531757D+00  0.293092D+00 -0.277264D+01 -0.121247D+01
      4   0.124029D+01  0.151420D+01  0.209899D+01 -0.192615D+01 -0.127672D+01
      5   0.746739D+00  0.168131D+01  0.336761D+00 -0.146865D+01 -0.224843D+01
      6   0.124629D+01  0.192550D+01 -0.197485D+00  0.787406D+01  0.984415D+01
               106           107           108           109           110 
      1  -0.436018D+00 -0.100613D+02 -0.127749D+02  0.786098D+00 -0.306262D+01
      2  -0.147533D+00  0.101357D+02  0.430776D+01  0.147500D+00  0.458935D+01
      3   0.583551D+00 -0.743998D-01  0.846712D+01 -0.933598D+00 -0.152673D+01
      4   0.433707D+01 -0.237895D+01 -0.137764D+01 -0.916898D-01  0.312423D+01
      5   0.187217D+01 -0.337870D+01 -0.714174D+01 -0.966988D-01 -0.824489D+00
      6  -0.253228D+00  0.142772D+02  0.246226D+02 -0.199691D+01 -0.223215D+01
               111           112           113           114           115 
      1   0.130919D+01 -0.148627D+01 -0.229802D+02  0.711145D+01  0.133214D+01
      2  -0.160255D+01  0.856835D+00  0.383623D+02 -0.113984D+02 -0.110544D+01
      3   0.293359D+00  0.629435D+00 -0.153821D+02  0.428691D+01 -0.226705D+00
      4  -0.160802D+01  0.456412D+01 -0.666860D+01  0.185500D+01 -0.251316D+01
      5   0.117682D+01 -0.286501D+00  0.325916D+01 -0.243932D+01  0.113376D+01
      6   0.238966D+01 -0.416998D-02 -0.151653D+02  0.110959D+02  0.319948D+00
               116           117           118           119           120 
      1   0.119180D+02 -0.843672D+01 -0.671565D+01 -0.210474D+01  0.798039D+00
      2  -0.163172D+02  0.878903D+01  0.516698D+01  0.735474D+00 -0.208032D+00
      3   0.439917D+01 -0.352313D+00  0.154867D+01  0.136927D+01 -0.590007D+00
      4   0.285056D+01 -0.139749D+01 -0.400737D+00 -0.355451D+01 -0.251991D+00
      5  -0.308641D+01  0.215551D+01  0.653375D+00 -0.188377D-01 -0.163297D+01
      6   0.142563D+02 -0.107847D+02 -0.394650D+00 -0.436310D+00 -0.701102D+00
               121           122           123           124           125 
      1  -0.117201D+02 -0.550904D+01  0.544321D+00  0.123764D+01 -0.252207D+00
      2   0.708813D+01  0.884545D+01 -0.593722D+00 -0.959690D+00  0.102959D+00
      3   0.463194D+01 -0.333641D+01  0.494009D-01 -0.277949D+00  0.149248D+00
      4   0.186191D+01 -0.155085D+02 -0.325478D+00 -0.246888D+00  0.927428D+00
      5   0.648347D+00  0.146922D+00 -0.470978D+01  0.196240D+01 -0.170732D+01
      6  -0.138366D+00 -0.677785D+00  0.110184D+01 -0.364433D+00  0.299965D+01
               126 
      1  -0.750375D+00
      2  -0.164530D+00
      3   0.914904D+00
      4  -0.144764D+01
      5  -0.101422D+01
      6   0.219605D+00
 Leave Link  716 at Thu Aug 12 22:26:46 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.644453D+02 -0.277909D+01 -0.360914D+00
      2  -0.277909D+01  0.640162D+02  0.328424D+00
      3  -0.360914D+00  0.328424D+00  0.476472D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.132631D+01 -0.221313D+01 -0.130187D+02
      2   0.730969D+00  0.231268D+01  0.813304D+01
      3   0.970488D+01  0.395044D+01 -0.125380D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.111925D+01 -0.184540D+02 -0.343206D+01
      2   0.332454D+01  0.272616D+02 -0.755530D+00
      3  -0.220529D+01 -0.880768D+01  0.418759D+01
      4   0.168775D+02  0.683658D+01  0.517424D+01
      5   0.307257D+01  0.396542D+01  0.153150D+02
      6   0.165046D+01  0.179153D+01  0.302489D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.299866D+01  0.836675D+00  0.171088D+01 -0.440439D+00 -0.464860D+01
      2   0.836675D+00 -0.236903D+01  0.567220D+00 -0.464860D+01 -0.385959D+01
      3   0.171088D+01  0.567220D+00  0.200358D+01 -0.172663D+00  0.797115D+00
                 6             7             8             9            10 
      1  -0.172663D+00  0.256211D+01  0.852919D-01  0.121179D+01 -0.366294D+01
      2   0.797115D+00  0.852919D-01  0.106916D+01 -0.951253D+00 -0.387631D+00
      3  -0.304881D+00  0.121179D+01 -0.951253D+00 -0.813631D+01 -0.122000D+01
                11            12            13            14            15 
      1  -0.387631D+00 -0.122000D+01 -0.105149D+01  0.315973D+01  0.211135D+00
      2   0.241092D+01  0.550333D-01  0.315973D+01  0.106033D+01 -0.117454D+00
      3   0.550333D-01 -0.127484D+01  0.211135D+00 -0.117454D+00  0.392532D+00
                16            17            18            19            20 
      1  -0.223533D+01  0.232307D+00 -0.120938D+01  0.753121D+00  0.204001D+00
      2   0.232307D+00  0.759599D-02 -0.365031D+00  0.204001D+00 -0.448869D+01
      3  -0.120938D+01 -0.365031D+00  0.643819D+01  0.417424D-01  0.114210D-01
                21            22            23            24            25 
      1   0.417424D-01  0.295078D+01 -0.320707D+01 -0.935663D-01 -0.519809D+00
      2   0.114210D-01 -0.320707D+01  0.343540D+01 -0.438203D+00 -0.191589D+00
      3  -0.677136D+00 -0.935663D-01 -0.438203D+00  0.341526D+00 -0.434248D+00
                26            27            28            29            30 
      1  -0.191589D+00 -0.434248D+00 -0.728904D+01 -0.931289D+00  0.260951D+00
      2   0.172250D+00  0.147519D+00 -0.931289D+00  0.346185D+00 -0.470459D-01
      3   0.147519D+00 -0.635134D+00  0.260951D+00 -0.470459D-01 -0.111623D+01
                31            32            33            34            35 
      1  -0.343598D+01 -0.201851D+01  0.118320D+00  0.106221D+01  0.385096D+00
      2  -0.201851D+01 -0.553588D+01  0.288720D+00  0.385096D+00  0.452347D+00
      3   0.118320D+00  0.288720D+00 -0.243054D+00 -0.206828D+01 -0.828882D-01
                36            37            38            39            40 
      1  -0.206828D+01  0.756885D+01 -0.214605D+01 -0.107167D+01  0.742264D+00
      2  -0.828882D-01 -0.214605D+01  0.284363D+01 -0.571140D-01  0.423075D+01
      3   0.510048D+00 -0.107167D+01 -0.571140D-01  0.466487D+00 -0.104689D+00
                41            42            43            44            45 
      1   0.423075D+01 -0.104689D+00 -0.172815D+01  0.533938D+00  0.128541D+01
      2   0.850554D+00 -0.194094D+00  0.533938D+00 -0.820940D+00 -0.642965D+00
      3  -0.194094D+00  0.838830D+00  0.128541D+01 -0.642965D+00 -0.373710D+00
                46            47            48            49            50 
      1  -0.229390D+01  0.245106D+01  0.569545D+00  0.194233D+01 -0.273110D+01
      2   0.245106D+01 -0.327345D+01  0.266239D+00 -0.273110D+01 -0.211908D+01
      3   0.569545D+00  0.266239D+00 -0.868577D+00  0.287978D+00  0.850271D+00
                51            52            53            54            55 
      1   0.287978D+00  0.420800D+00  0.303672D+00 -0.776813D+00  0.431981D+01
      2   0.850271D+00  0.303672D+00  0.105546D+01 -0.238979D+01 -0.251613D+01
      3  -0.220158D+01 -0.776813D+00 -0.238979D+01 -0.332612D+01  0.125022D+00
                56            57            58            59            60 
      1  -0.251613D+01  0.125022D+00 -0.480320D+01  0.237481D+01  0.698123D-02
      2   0.255673D+01 -0.141114D+00  0.237481D+01 -0.120323D+02  0.371012D+00
      3  -0.141114D+00  0.124209D+01  0.698123D-02  0.371012D+00 -0.210409D+01
                61            62            63            64            65 
      1   0.424188D+00 -0.166521D+00  0.101660D+01  0.134738D+01  0.315254D+00
      2  -0.166521D+00  0.490991D+00 -0.287676D+01  0.315254D+00 -0.147509D+00
      3   0.101660D+01 -0.287676D+01  0.679195D+00 -0.102876D+01  0.348337D-01
                66            67            68            69            70 
      1  -0.102876D+01  0.218632D+00 -0.525405D+00 -0.223243D-01 -0.138984D+01
      2   0.348337D-01 -0.525405D+00  0.286914D+00 -0.991181D+00 -0.450410D-01
      3   0.117124D+01 -0.223243D-01 -0.991181D+00  0.137279D+00  0.648284D+00
                71            72            73            74            75 
      1  -0.450410D-01  0.648284D+00  0.281937D+01  0.198629D+01 -0.505889D+00
      2  -0.180304D+01  0.706335D+00  0.198629D+01  0.235668D+01 -0.139061D+00
      3   0.706335D+00 -0.810799D+01 -0.505889D+00 -0.139061D+00  0.545067D+00
                76            77            78            79            80 
      1   0.306289D+01  0.318085D+01  0.184621D-01 -0.108112D+01 -0.355506D+00
      2   0.318085D+01  0.662697D+01 -0.464117D+00 -0.355506D+00 -0.119987D+01
      3   0.184621D-01 -0.464117D+00  0.886912D+00  0.582836D+00  0.984866D+00
                81            82            83            84            85 
      1   0.582836D+00 -0.716027D+00  0.181246D+00  0.106770D+01 -0.320472D+00
      2   0.984866D+00  0.181246D+00  0.681774D-01 -0.323635D+00  0.448696D+00
      3   0.235568D+00  0.106770D+01 -0.323635D+00 -0.119736D+01 -0.661012D-01
                86            87            88            89            90 
      1   0.448696D+00 -0.661012D-01  0.171309D+01 -0.286298D+00  0.164742D+00
      2   0.340522D+00  0.104270D+01 -0.286298D+00  0.141809D+01  0.923954D+00
      3   0.104270D+01 -0.304629D+00  0.164742D+00  0.923954D+00  0.915200D+01
                91            92            93            94            95 
      1  -0.291936D+01  0.844864D+00 -0.100607D+00  0.355423D+01  0.248285D+00
      2   0.844864D+00 -0.719604D+00  0.625528D-02  0.248285D+00  0.568079D+01
      3  -0.100607D+00  0.625528D-02 -0.806066D+00 -0.215765D+00 -0.213489D+00
                96            97            98            99           100 
      1  -0.215765D+00 -0.252782D+00 -0.978718D-01 -0.796144D+00 -0.399408D+00
      2  -0.213489D+00 -0.978718D-01 -0.419580D+00  0.108571D+00 -0.442596D-01
      3   0.451322D+00 -0.796144D+00  0.108571D+00 -0.838010D-02  0.240473D+00
               101           102           103           104           105 
      1  -0.442596D-01  0.240473D+00  0.128749D+00 -0.110770D+00 -0.235819D-01
      2   0.376077D+00  0.207555D+00 -0.110770D+00  0.214171D+01  0.140666D+01
      3   0.207555D+00  0.344266D+00 -0.235819D-01  0.140666D+01  0.146775D+01
               106           107           108           109           110 
      1   0.138057D+01 -0.320987D+00 -0.863579D-01 -0.335116D+00  0.323438D+00
      2  -0.320987D+00  0.299653D+01  0.271285D+01  0.323438D+00  0.817591D+00
      3  -0.863579D-01  0.271285D+01  0.569713D+01 -0.273579D+00 -0.296381D+00
               111           112           113           114           115 
      1  -0.273579D+00  0.856472D+00  0.101652D+00 -0.890317D-01 -0.889205D+00
      2  -0.296381D+00  0.101652D+00  0.754507D+01 -0.215590D+01 -0.203626D+00
      3   0.343831D+00 -0.890317D-01 -0.215590D+01  0.182553D+01  0.890873D-01
               116           117           118           119           120 
      1  -0.203626D+00  0.890873D-01 -0.219141D+01 -0.111747D+01  0.184196D+00
      2  -0.379257D+01  0.220751D+01 -0.111747D+01 -0.777707D+00 -0.144206D+00
      3   0.220751D+01 -0.191443D+01  0.184196D+00 -0.144206D+00 -0.176339D+00
               121           122           123           124           125 
      1  -0.340477D+01 -0.503315D+00  0.144848D+00  0.533275D+00  0.127136D+00
      2  -0.503315D+00 -0.442138D+01 -0.182035D+00  0.127136D+00  0.373581D+00
      3   0.144848D+00 -0.182035D+00 -0.118345D+01  0.372482D+00 -0.482912D+00
               126 
      1   0.372482D+00
      2  -0.482912D+00
      3  -0.210054D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.272317D+01 -0.257798D+01 -0.323613D+01 -0.228829D+01 -0.303246D+01
      2   0.383001D+01  0.130721D+01  0.328054D+01 -0.529384D-01  0.248477D+01
      3   0.460881D+01  0.427226D+01  0.981948D+00  0.102466D+02  0.514091D+00
                 6             7             8             9            10 
      1   0.302694D+00 -0.152509D+01  0.224580D+01  0.784615D+01  0.180049D+01
      2   0.112282D+01 -0.176950D+01 -0.118910D+01 -0.944862D+01 -0.894389D+00
      3  -0.164782D+01  0.190839D+01 -0.122762D+01  0.263698D+01 -0.265729D+01
                11            12            13            14            15 
      1  -0.608675D+00 -0.397069D+00 -0.252073D+01  0.671851D+00 -0.274808D+01
      2  -0.971043D+00  0.129381D+01  0.183462D+01  0.860564D+00  0.272031D+01
      3  -0.463188D+01 -0.117073D+01  0.985230D+00 -0.193053D+01  0.590647D+00
                16            17            18            19            20 
      1   0.820757D+00  0.363623D+01 -0.130619D+01  0.109257D+00  0.152826D+01
      2  -0.478145D+01  0.130752D+01  0.687720D+00 -0.565280D+00 -0.194402D+01
      3  -0.340057D+01  0.389177D+00 -0.716821D+00  0.144231D+01 -0.556726D+01
                21            22            23            24            25 
      1  -0.192065D+01  0.216919D+01  0.262925D+01  0.820702D+01  0.284246D+01
      2  -0.637655D+01 -0.247090D+01  0.543300D+00  0.498097D+00 -0.131421D+02
      3   0.145444D+01 -0.641200D+01  0.230692D+01 -0.104774D+01  0.377124D+01
                26            27            28            29            30 
      1   0.126387D+02 -0.245120D+01  0.509683D+00 -0.787016D-01 -0.219051D+00
      2  -0.436387D+01  0.194265D+01 -0.129109D+01 -0.314207D+00  0.832847D+01
      3  -0.774095D+00  0.101401D+01  0.296176D+01 -0.456012D+01 -0.295989D+00
                31            32            33            34            35 
      1  -0.662581D+00 -0.111651D+01 -0.337606D+01 -0.292723D+01  0.576303D-01
      2   0.105481D+01 -0.565799D+00  0.235908D+01  0.296150D+01  0.313348D+01
      3   0.320526D+00 -0.202811D+02  0.876242D+00 -0.476830D+00  0.232392D+01
                36            37            38            39            40 
      1   0.639992D+00  0.487057D-02 -0.140035D+00  0.300446D+01  0.127434D+00
      2  -0.174789D+01 -0.227387D+01  0.122150D+01  0.589080D+01 -0.546561D-01
      3   0.121440D+01 -0.307722D+01 -0.167864D+02 -0.946631D+00 -0.116172D+02
                41            42            43            44            45 
      1  -0.137536D+01 -0.419381D+01 -0.300006D+00  0.377138D+01 -0.137400D+01
      2  -0.664268D+00 -0.602733D+00 -0.969657D-01 -0.981774D+00 -0.200345D+01
      3  -0.503069D+01  0.818268D+00  0.302490D+00  0.271091D+01  0.147253D+01
                46            47            48            49            50 
      1  -0.113377D+01  0.250975D+00  0.234944D+01  0.425442D+00 -0.465380D+01
      2  -0.110358D+01  0.159177D+01  0.637753D+01 -0.312645D-01 -0.241339D+01
      3  -0.408742D+00 -0.541414D+01  0.652255D+00  0.537430D+01 -0.836018D+01
                51            52            53            54            55 
      1   0.811420D+00  0.137572D+01  0.982975D+01  0.578394D+01 -0.234856D+00
      2   0.205528D+01 -0.134163D+01  0.383593D+01  0.402549D+01  0.377091D+00
      3   0.156552D+01  0.111740D+01  0.237705D+01 -0.504582D+01 -0.819261D+01
                56            57            58            59            60 
      1  -0.685733D+00  0.198129D+01  0.293000D+00  0.816031D+00 -0.111037D+02
      2   0.800691D+00  0.398088D+01 -0.175896D+00 -0.911234D+00 -0.122720D+01
      3   0.938174D+00 -0.561991D+00  0.172137D+02 -0.709521D+01  0.449897D+00
                61            62            63            64            65 
      1  -0.830559D+00 -0.156967D+01  0.175270D+01  0.405447D+00 -0.246891D+00
      2  -0.211043D+01  0.368465D+01 -0.478641D+00  0.118688D+01  0.232034D+00
      3  -0.250797D+01 -0.199236D+00 -0.361216D+01  0.772903D+00 -0.390711D+00
                66            67            68            69            70 
      1  -0.354815D+00  0.265748D+00 -0.332168D+00 -0.840074D-01 -0.594290D+00
      2   0.911189D+00  0.134725D-01 -0.221854D+00 -0.364313D+00 -0.225636D+01
      3  -0.749680D+00  0.148429D+01 -0.238442D+00  0.948074D-01 -0.737450D+00
                71            72            73            74            75 
      1   0.263779D+01  0.405014D+01  0.157741D+01  0.142545D+01 -0.122333D+01
      2   0.415425D+00 -0.563235D+00 -0.126000D+01 -0.794760D+00  0.196092D+01
      3   0.275330D+00  0.131819D+00  0.193061D+00 -0.340271D+01 -0.350153D+00
                76            77            78            79            80 
      1   0.103465D+01  0.300205D+01 -0.331912D+01 -0.558876D+00 -0.463705D+00
      2  -0.387456D+00 -0.133243D+01  0.224150D+01  0.164604D+00  0.134979D+01
      3   0.486134D+00 -0.818510D+01  0.100404D+01 -0.128111D+01  0.164693D+01
                81            82            83            84            85 
      1   0.314729D+00 -0.499032D+00 -0.217089D-01  0.810788D+00  0.219063D+00
      2   0.139588D-01  0.261480D+01 -0.844994D+00 -0.103814D+01 -0.133505D+00
      3  -0.885730D+00 -0.141844D+01 -0.639964D+00  0.117637D+01 -0.794018D-01
                86            87            88            89            90 
      1  -0.676029D+00  0.242791D+00 -0.192009D+00  0.351225D+01 -0.737842D+01
      2   0.133125D+01 -0.319425D+00 -0.451500D+01  0.160476D+01  0.126271D+02
      3   0.549459D-02 -0.132200D+01  0.177957D+01 -0.243846D+01 -0.175978D+01
                91            92            93            94            95 
      1   0.297950D+00  0.145913D+00  0.112288D+01  0.977783D-01  0.127743D+01
      2   0.232992D-01 -0.149458D+00  0.107411D+01 -0.245491D+00  0.358614D+00
      3  -0.251901D+00 -0.302273D+01 -0.116126D+00  0.302559D+00  0.225485D+02
                96            97            98            99           100 
      1   0.117946D+01  0.556025D+00  0.255751D+01 -0.304317D-01 -0.508781D+00
      2  -0.219561D+01 -0.223566D+00 -0.110550D+01  0.316217D+00 -0.111737D+01
      3  -0.644434D+00  0.153629D+00 -0.161718D+01 -0.393813D+00 -0.646150D+00
               101           102           103           104           105 
      1   0.198965D+00 -0.896988D+00  0.295745D+00 -0.221470D+01 -0.382460D+01
      2  -0.959162D-01 -0.493450D+00 -0.403498D-01 -0.177401D+01 -0.188884D+01
      3  -0.628559D+00  0.451775D+00  0.715096D+00  0.196642D+01  0.132274D+01
               106           107           108           109           110 
      1  -0.243462D+00 -0.364007D+01 -0.113587D+02  0.470495D-01  0.423713D+00
      2  -0.284096D+01 -0.293115D+01 -0.630080D+01  0.459924D+00  0.485736D+00
      3   0.336705D+01  0.223303D+01  0.291665D+01 -0.226006D+00  0.711567D+00
               111           112           113           114           115 
      1  -0.109205D+01 -0.896385D-02  0.360929D+01 -0.478242D+01 -0.273315D+00
      2  -0.327529D+00  0.801615D+00  0.289450D+01 -0.194261D+01 -0.126690D+01
      3  -0.775388D+00  0.395580D+01  0.805918D+01 -0.250411D+01 -0.310703D+01
               116           117           118           119           120 
      1  -0.326686D+01  0.389396D+01  0.347457D+00  0.386451D+00  0.712176D-01
      2  -0.268959D+01  0.158729D+01 -0.165958D+00 -0.359837D+00 -0.103809D+01
      3  -0.468643D+01  0.264230D+01  0.828904D+01  0.711342D+01  0.853579D-01
               121           122           123           124           125 
      1   0.732053D+00  0.123041D+01 -0.113604D+01  0.460360D+00  0.623237D-01
      2  -0.112063D+00 -0.590002D+00 -0.245636D+01 -0.100720D+01 -0.681765D+00
      3   0.925040D+01  0.143318D+02  0.264662D+00 -0.888826D+00 -0.101333D+01
               126 
      1  -0.218115D+00
      2  -0.478513D+00
      3   0.385429D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128483D+01  0.131000D+01 -0.131586D+01  0.725132D+01 -0.533827D+01
      2  -0.320850D+01 -0.530464D+01 -0.390578D+01 -0.107857D+02 -0.941984D+01
      3   0.449333D+01  0.399465D+01  0.522164D+01  0.353438D+01  0.147581D+02
      4   0.292429D+01 -0.113957D+02  0.474671D+01 -0.185252D+02 -0.184928D+02
      5   0.744496D+01  0.103692D+01  0.178064D+01 -0.234004D+01  0.228236D+01
      6   0.343332D+01  0.301040D+01  0.624082D+01 -0.656697D+00 -0.466985D+00
                 6             7             8             9            10 
      1   0.137057D+01  0.608901D+01  0.187658D+01  0.152692D+02 -0.444867D+01
      2   0.396773D+01 -0.426863D+01  0.148768D+01  0.618487D+01  0.382559D+01
      3  -0.533831D+01 -0.182037D+01 -0.336425D+01 -0.214541D+02  0.623084D+00
      4   0.180052D+01  0.824265D+00  0.418175D+01 -0.254143D+01 -0.493229D+00
      5   0.293755D+01  0.264938D+01 -0.157113D+01 -0.154745D+02 -0.228807D+01
      6  -0.349223D+01  0.220411D+01 -0.753805D+00 -0.997160D+01 -0.244263D+01
                11            12            13            14            15 
      1  -0.610507D+01 -0.115624D+01  0.231106D+01 -0.128338D+00  0.146733D+01
      2   0.106889D+02  0.112103D+00  0.194069D+01  0.499145D+00 -0.253417D+00
      3  -0.458381D+01  0.104414D+01 -0.425175D+01 -0.370807D+00 -0.121391D+01
      4  -0.243488D+01 -0.288745D+01 -0.435064D+01  0.783156D+01  0.857820D+00
      5  -0.763148D+00 -0.121692D+01  0.966357D+00  0.115561D+01  0.297705D+01
      6  -0.748512D+00 -0.119331D+01 -0.319393D-01 -0.356498D+00 -0.354938D-01
                16            17            18            19            20 
      1  -0.148259D+01 -0.632329D+00  0.579532D+01 -0.156421D+02 -0.844699D+01
      2  -0.786996D+00 -0.460041D+01  0.954532D+01  0.915150D+01  0.114926D+02
      3   0.226959D+01  0.523274D+01 -0.153406D+02  0.649058D+01 -0.304557D+01
      4  -0.431072D+01 -0.290358D+00 -0.223551D+01  0.849461D+00 -0.853203D+00
      5  -0.900609D+00 -0.114206D+01  0.538791D+01  0.130873D+01 -0.103107D+01
      6  -0.287732D+01  0.261354D-01  0.787329D+01  0.178287D+00 -0.652998D+00
                21            22            23            24            25 
      1   0.918229D+00  0.130445D+01  0.218530D+02 -0.222593D+01  0.132638D+01
      2  -0.180282D+01  0.115002D+00 -0.308772D+02 -0.389571D+00 -0.148710D+01
      3   0.884591D+00 -0.141945D+01  0.902420D+01  0.261550D+01  0.160712D+00
      4  -0.248576D+00 -0.909807D+01  0.407689D+01 -0.322277D+00  0.319857D+01
      5  -0.103260D+02 -0.381620D+00 -0.122725D+01  0.250487D+01  0.353202D+01
      6   0.446165D+01 -0.322683D+00 -0.253094D+00 -0.983472D+01 -0.192067D+00
                26            27            28            29            30 
      1  -0.457692D+01 -0.372157D+01  0.440585D+02  0.428438D+01 -0.133705D+01
      2   0.404841D+01 -0.745540D+01 -0.268885D+02 -0.228224D+01  0.150491D+01
      3   0.528505D+00  0.111770D+02 -0.171700D+02 -0.200215D+01 -0.167859D+00
      4   0.101013D+01  0.762285D+00  0.113492D+02  0.860481D+01  0.735341D+00
      5  -0.145345D+01  0.210133D+01 -0.195734D+01  0.812946D+00  0.160951D+02
      6   0.214634D+01  0.280352D+01  0.639127D+00  0.677000D+00  0.771689D+00
                31            32            33            34            35 
      1   0.115669D+02  0.463104D+01  0.429639D+00 -0.217019D+01  0.754102D+00
      2  -0.662690D+01 -0.284596D+00 -0.462292D-01  0.228502D+01  0.414614D+00
      3  -0.494004D+01 -0.434645D+01 -0.383410D+00 -0.114825D+00 -0.116872D+01
      4   0.152853D+02  0.170448D+02 -0.877446D+00 -0.526829D+00 -0.139697D+01
      5   0.342166D-01 -0.134596D+01  0.266115D+01  0.141635D+02  0.121251D+01
      6  -0.258776D+00 -0.619754D+00  0.601744D+01  0.371399D+01  0.469481D+01
                36            37            38            39            40 
      1   0.525285D+01  0.426212D+02 -0.519877D+01 -0.193641D+01 -0.267379D+01
      2  -0.768293D+01 -0.260420D+02 -0.268320D-01  0.374358D+01 -0.485788D-01
      3   0.243008D+01 -0.165792D+02  0.522560D+01 -0.180716D+01  0.272237D+01
      4   0.371786D+01 -0.112568D+02  0.155851D+02 -0.391079D+00  0.168523D+02
      5  -0.326381D+01 -0.543235D+01  0.230802D+00  0.111497D+02  0.940621D+00
      6  -0.904009D+00 -0.462329D+00 -0.864223D+00 -0.387395D+01  0.574143D-01
                41            42            43            44            45 
      1   0.105632D+02 -0.342434D+01 -0.724895D+01  0.457653D+00  0.161854D+01
      2  -0.298431D+01 -0.681859D+00  0.540977D+01  0.656955D+00 -0.768259D+01
      3  -0.757893D+01  0.410620D+01  0.183917D+01 -0.111461D+01  0.606405D+01
      4   0.237013D+00 -0.125550D+01  0.288168D+01 -0.323354D+01 -0.266473D+01
      5  -0.210025D+01 -0.148342D+01  0.121842D+02 -0.434965D+01 -0.447325D+01
      6   0.191002D+01  0.823729D+01 -0.196320D+01  0.464128D+01  0.228263D+01
                46            47            48            49            50 
      1   0.429431D+01  0.736025D+01 -0.151005D+01  0.102431D+01  0.954658D+01
      2   0.457557D+01 -0.133669D+02  0.136061D+01 -0.616617D+01 -0.887498D+01
      3  -0.886988D+01  0.600665D+01  0.149441D+00  0.514186D+01 -0.671602D+00
      4  -0.571655D+01  0.171317D+02  0.191302D+01  0.157905D+02 -0.710793D+01
      5  -0.400400D+00  0.923288D+00  0.708625D+01 -0.342027D+00 -0.262535D+01
      6   0.181644D+01  0.159887D+01 -0.524340D+01  0.831272D+00  0.710558D+01
                51            52            53            54            55 
      1  -0.168904D+01 -0.203735D+01 -0.236236D+01  0.107829D+02 -0.417144D+00
      2   0.622457D+01  0.135231D+01  0.806424D+01 -0.122732D+02  0.497784D+01
      3  -0.453553D+01  0.685047D+00 -0.570188D+01  0.149029D+01 -0.456070D+01
      4  -0.122502D+01  0.735392D+00 -0.189756D+01 -0.124893D+01 -0.680088D+01
      5   0.166131D+01  0.593150D+01  0.388110D+01  0.422159D+01  0.104576D+00
      6  -0.686811D+01 -0.301114D+01 -0.106564D+02 -0.122170D+02 -0.431069D+00
                56            57            58            59            60 
      1   0.719237D+01 -0.772806D+00  0.609832D+01 -0.387289D+02  0.806999D+00
      2  -0.105416D+02  0.449192D+00 -0.729136D+01  0.577215D+02 -0.211847D+00
      3   0.334919D+01  0.323615D+00  0.119304D+01 -0.189926D+02 -0.595153D+00
      4   0.132542D+02 -0.574927D+00  0.166837D+02  0.151115D+01  0.124807D+00
      5  -0.309548D+00  0.597904D+01 -0.364038D+00  0.607382D+00 -0.972200D+00
      6   0.559079D+00 -0.407446D+01  0.428277D+00 -0.144105D+00  0.176825D+02
                61            62            63            64            65 
      1  -0.105000D+00  0.282806D+01 -0.985012D+01  0.710955D+00  0.757762D+00
      2   0.434286D+00 -0.209685D+01  0.741737D+01 -0.416577D+01 -0.101921D+01
      3  -0.329286D+00 -0.731210D+00  0.243275D+01  0.345481D+01  0.261453D+00
      4  -0.146251D+01 -0.108238D+00  0.420538D+00  0.105217D+01  0.195325D+01
      5   0.340934D+01  0.268414D+01 -0.750913D-01 -0.134775D+01 -0.284576D+00
      6  -0.322575D+01  0.157698D+02 -0.274230D+01 -0.149823D+01 -0.423465D+00
                66            67            68            69            70 
      1   0.833810D+00  0.286208D+00 -0.318859D+01  0.329414D+00  0.358344D+00
      2   0.168767D+01  0.268798D+00  0.524297D+00 -0.142449D+01  0.232980D+01
      3  -0.252148D+01 -0.555006D+00  0.266430D+01  0.109507D+01 -0.268815D+01
      4  -0.119867D+01  0.215393D+01  0.136025D+00 -0.546243D+00 -0.125434D+01
      5   0.649250D+01 -0.114815D+00 -0.119683D+01 -0.399362D+00  0.472177D+01
      6   0.131213D+01 -0.796976D+00 -0.102780D+01  0.593759D+01  0.117603D+01
                71            72            73            74            75 
      1   0.258175D+01 -0.154674D+02  0.106073D+02  0.518652D+01 -0.143240D+01
      2  -0.334358D+00 -0.156472D+02 -0.781369D+00  0.241246D+01 -0.901444D-02
      3  -0.224739D+01  0.311146D+02 -0.982591D+01 -0.759898D+01  0.144142D+01
      4   0.361787D+00  0.952615D+00  0.149235D+02  0.154648D+02 -0.129901D+01
      5   0.730327D+00 -0.448479D+01 -0.819617D+00  0.142130D-01  0.317808D+01
      6   0.524775D+01 -0.107609D+02 -0.599349D+00 -0.151745D+00  0.185642D+01
                76            77            78            79            80 
      1   0.542161D+01 -0.291748D+01  0.453020D+00 -0.286919D+01  0.730324D+00
      2   0.451577D+01  0.200656D+02 -0.190683D+01  0.795171D+00 -0.300914D+01
      3  -0.993738D+01 -0.171482D+02  0.145381D+01  0.207402D+01  0.227882D+01
      4   0.193256D+02  0.299736D+02 -0.187104D+01 -0.327490D+01 -0.450358D+01
      5   0.580004D+00 -0.762356D+00  0.383901D+01  0.365386D+01  0.411583D+01
      6   0.905168D+00  0.231845D+00  0.452922D+01  0.238288D+01  0.459500D+01
                81            82            83            84            85 
      1  -0.135351D+01 -0.195149D+01  0.126534D+01  0.595757D+01 -0.145074D+01
      2   0.366682D+00 -0.139887D+01  0.361383D+00 -0.147655D+01  0.181071D+01
      3   0.986830D+00  0.335036D+01 -0.162673D+01 -0.448102D+01 -0.359969D+00
      4   0.475584D+01  0.126088D-01  0.252938D+01  0.203436D+00  0.295675D+01
      5  -0.293150D+00  0.199290D+01 -0.180755D+00  0.373780D+01 -0.194239D+00
      6  -0.117881D+01  0.767224D+00 -0.151997D+01 -0.220875D+01  0.535290D-01
                86            87            88            89            90 
      1  -0.171579D+01 -0.119098D+01  0.519043D+01 -0.381914D+01 -0.199142D+02
      2   0.652798D-01  0.182251D+01 -0.287445D+01  0.168973D+01 -0.150074D+02
      3   0.165051D+01 -0.631532D+00 -0.231598D+01  0.212941D+01  0.349217D+02
      4   0.213135D+01  0.239143D+01  0.130793D+01  0.353284D+01  0.384997D+01
      5   0.226275D+01 -0.101319D+01  0.591202D+01  0.222481D+01  0.216358D+02
      6   0.116889D+01  0.547083D+01  0.199191D+00  0.608316D+01  0.109711D+02
                91            92            93            94            95 
      1   0.116859D+02 -0.446402D+01  0.204276D+00 -0.157652D+02 -0.107183D+01
      2  -0.653763D+01  0.224084D+01 -0.122454D+00  0.105950D+02  0.124671D+01
      3  -0.514824D+01  0.222318D+01 -0.818217D-01  0.517021D+01 -0.174878D+00
      4  -0.769733D+01  0.336660D+01 -0.324548D+00 -0.115391D+01 -0.160175D+02
      5   0.172751D+00 -0.240558D-01  0.246587D+01  0.516973D+00  0.101246D+01
      6  -0.156758D+00 -0.622652D-01 -0.166290D+01 -0.229484D+00  0.749342D+00
                96            97            98            99           100 
      1   0.361279D+00  0.105595D+01  0.338817D+00  0.178521D+01  0.162271D+01
      2  -0.445752D+00 -0.735909D+00 -0.461284D+00 -0.246260D+01 -0.178588D+01
      3   0.844735D-01 -0.320040D+00  0.122467D+00  0.677397D+00  0.163168D+00
      4   0.309229D+00  0.304438D+00  0.944692D+00 -0.154575D+01 -0.143317D+01
      5  -0.331525D+01  0.422001D+01 -0.939077D+00  0.357434D+00  0.304026D+00
      6  -0.203898D+01 -0.888113D+00  0.688965D+00  0.115035D+00  0.114752D+01
               101           102           103           104           105 
      1  -0.167986D+01 -0.104150D+01 -0.315403D+00 -0.769282D+01 -0.456270D+01
      2   0.187318D+01  0.509742D+00  0.223107D-01  0.104655D+02  0.577516D+01
      3  -0.193319D+00  0.531757D+00  0.293092D+00 -0.277264D+01 -0.121247D+01
      4   0.124029D+01  0.151420D+01  0.209899D+01 -0.192615D+01 -0.127672D+01
      5   0.746739D+00  0.168131D+01  0.336761D+00 -0.146865D+01 -0.224843D+01
      6   0.124629D+01  0.192550D+01 -0.197485D+00  0.787406D+01  0.984415D+01
               106           107           108           109           110 
      1  -0.436018D+00 -0.100613D+02 -0.127749D+02  0.786098D+00 -0.306262D+01
      2  -0.147533D+00  0.101357D+02  0.430776D+01  0.147500D+00  0.458935D+01
      3   0.583551D+00 -0.743998D-01  0.846712D+01 -0.933598D+00 -0.152673D+01
      4   0.433707D+01 -0.237895D+01 -0.137764D+01 -0.916898D-01  0.312423D+01
      5   0.187217D+01 -0.337870D+01 -0.714174D+01 -0.966988D-01 -0.824489D+00
      6  -0.253228D+00  0.142772D+02  0.246226D+02 -0.199691D+01 -0.223215D+01
               111           112           113           114           115 
      1   0.130919D+01 -0.148627D+01 -0.229802D+02  0.711145D+01  0.133214D+01
      2  -0.160255D+01  0.856835D+00  0.383623D+02 -0.113984D+02 -0.110544D+01
      3   0.293359D+00  0.629435D+00 -0.153821D+02  0.428691D+01 -0.226705D+00
      4  -0.160802D+01  0.456412D+01 -0.666860D+01  0.185500D+01 -0.251316D+01
      5   0.117682D+01 -0.286501D+00  0.325916D+01 -0.243932D+01  0.113376D+01
      6   0.238966D+01 -0.416998D-02 -0.151653D+02  0.110959D+02  0.319948D+00
               116           117           118           119           120 
      1   0.119180D+02 -0.843672D+01 -0.671565D+01 -0.210474D+01  0.798039D+00
      2  -0.163172D+02  0.878903D+01  0.516698D+01  0.735474D+00 -0.208032D+00
      3   0.439917D+01 -0.352313D+00  0.154867D+01  0.136927D+01 -0.590007D+00
      4   0.285056D+01 -0.139749D+01 -0.400737D+00 -0.355451D+01 -0.251991D+00
      5  -0.308641D+01  0.215551D+01  0.653375D+00 -0.188377D-01 -0.163297D+01
      6   0.142563D+02 -0.107847D+02 -0.394650D+00 -0.436310D+00 -0.701102D+00
               121           122           123           124           125 
      1  -0.117201D+02 -0.550904D+01  0.544321D+00  0.123764D+01 -0.252207D+00
      2   0.708813D+01  0.884545D+01 -0.593722D+00 -0.959690D+00  0.102959D+00
      3   0.463194D+01 -0.333641D+01  0.494009D-01 -0.277949D+00  0.149248D+00
      4   0.186191D+01 -0.155085D+02 -0.325478D+00 -0.246888D+00  0.927428D+00
      5   0.648347D+00  0.146922D+00 -0.470978D+01  0.196240D+01 -0.170732D+01
      6  -0.138366D+00 -0.677785D+00  0.110184D+01 -0.364433D+00  0.299965D+01
               126 
      1  -0.750375D+00
      2  -0.164530D+00
      3   0.914904D+00
      4  -0.144764D+01
      5  -0.101422D+01
      6   0.219605D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x         -0.390960D+00     -0.993720D+00     -0.331469D+01
   y          0.194418D+01      0.494162D+01      0.164835D+02
   z          0.227264D-01      0.577646D-01      0.192682D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.601322D+02      0.891067D+01      0.991446D+01
   yx        -0.253902D+01     -0.376243D+00     -0.418627D+00
   yy         0.602054D+02      0.892151D+01      0.992652D+01
   zx        -0.455055D+00     -0.674321D-01     -0.750284D-01
   zy         0.262462D+00      0.388928D-01      0.432741D-01
   zz         0.438429D+02      0.649685D+01      0.722872D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.587029D+02      0.869887D+01      0.967880D+01
   aniso      0.172926D+02      0.256251D+01      0.285117D+01
   xx         0.644453D+02      0.954981D+01      0.106256D+02
   yx        -0.277909D+01     -0.411819D+00     -0.458210D+00
   yy         0.640162D+02      0.948622D+01      0.105548D+02
   zx        -0.360914D+00     -0.534820D-01     -0.595067D-01
   zy         0.328424D+00      0.486675D-01      0.541499D-01
   zz         0.476472D+02      0.706059D+01      0.785596D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.88758838         -0.04873937          0.60878486
     6          0.13134855          0.70920869          1.10429614
     6         -1.59976404         -0.25064167         -1.01865767
     8         -3.88545884         -0.96728290         -0.24887032
     8          3.87537404          1.04517558         -1.60149348
     7         -0.86548230         -0.12399515          3.55096411
     8         -0.96056605         -0.32831644         -3.20653688
     1          0.01835313          2.77115470          1.02394158
     1          4.04378731          0.60905830          2.18617115
     1          3.00934959         -2.12538414          0.56091907
     1         -3.85292632         -0.80126631          1.60414851
     1         -0.12026323         -1.81257494          4.07002183
     1         -0.49306375          1.13378119          4.93984754
     1          2.70331611          0.63760943         -2.95313765

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.198323D+01      0.504088D+01      0.168146D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.584162D+02      0.865638D+01      0.963153D+01
   yx         0.329939D+01      0.488919D+00      0.543996D+00
   yy         0.445747D+02      0.660528D+01      0.734937D+01
   zx        -0.225689D+01     -0.334437D+00     -0.372111D+00
   zy        -0.605039D+00     -0.896576D-01     -0.997575D-01
   zz         0.611897D+02      0.906737D+01      0.100888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.587029D+02      0.869887D+01      0.967880D+01
   aniso      0.172926D+02      0.256251D+01      0.285117D+01
   xx         0.626436D+02      0.928282D+01      0.103285D+02
   yx         0.327575D+01      0.485416D+00      0.540098D+00
   yy         0.483513D+02      0.716492D+01      0.797204D+01
   zx        -0.255912D+01     -0.379222D+00     -0.421941D+00
   zy        -0.711445D+00     -0.105425D+00     -0.117301D+00
   zz         0.651138D+02      0.964887D+01      0.107358D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-21\Freq\RwB97XD\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.400902,0.
 606476,0.330203\C,0.023343,0.604862,-0.347509\C,-0.73311,-0.696797,-0.
 043039\O,-2.048935,-0.547476,0.094953\O,2.244705,-0.411378,-0.147633\N
 ,-0.823363,1.751312,-0.004429\O,-0.187475,-1.7692,0.050668\H,0.182702,
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 WE LOSE BECAUSE WE WIN

 GAMBLERS,

 RECOLLECTING WHICH,

 TOSS THEIR DICE AGAIN....


                          EMILY DICKINSON  BOLTS OF MELODY NO. 533
 Job cpu time:       0 days  0 hours 45 minutes 59.9 seconds.
 Elapsed time:       0 days  0 hours  5 minutes 46.4 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:26:46 2021.
